6857681
  -OEChem-11232504152D

 40 41  0     1  0  0  0  0  0999 V2000
    4.0802   -3.2389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8108    1.6548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4119    1.1460    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5520    2.6207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2886    3.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1836    1.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    2.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5256    2.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4984    0.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5164    0.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2871    2.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3938   -0.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4803   -0.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3758   -1.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848   -2.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4622   -2.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0308    0.8337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3320    3.4417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9708    4.1357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9018    3.6953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619    0.8394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9491    0.4888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7199    2.5912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1113    1.7992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8799    0.6960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3484    1.3408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1330    0.2162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5812   -0.4652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998    0.0866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7501    2.3019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2871    3.2319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0123   -0.2121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5438   -0.8569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9787   -0.2976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4566   -1.6871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7808   -2.4153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7144   -2.6297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8958   -2.3155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2100   -1.4969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5818   -3.6033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  1  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  6  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  6  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  2  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6857681

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
315

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGgAACAAADwCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAUAAAgAAIEAMAgMAPgAAAAAAAAAAAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylene-norbornan-2-yl]pent-2-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylene-2-bicyclo[2.2.1]heptanyl]-2-penten-1-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-2-methyl-5-[(1<I>S</I>,2<I>R</I>,4<I>R</I>)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol

> <PUBCHEM_IUPAC_NAME>
(Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylene-norbornan-2-yl]pent-2-en-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14+,15+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OJYKYCDSGQGTRJ-GQYWAMEOSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
220.182715385

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35

> <PUBCHEM_SMILES>
C/C(=C/CC[C@@]1([C@H]2CC[C@H](C2)C1=C)C)/CO

> <PUBCHEM_CONNECTIVITY_SMILES>
CC(=CCCC1(C2CCC(C2)C1=C)C)CO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.182715385

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  17  5
3  10  6
4  18  6

$$$$
