643820
  DSViewer          3D                             0

 29 28  0  0  0  0  0  0  0  0999 V2000
    9.8308    1.9909    0.0002 O   0  0  0  0  0  0  0  0  0  1
    5.9549    0.1602   -0.0002 C   0  0  0  0  0  0  0  0  0  2
    4.7685   -0.8262    0.0000 C   0  0  0  0  0  0  0  0  0  3
    7.2642   -0.5997   -0.0011 C   0  0  0  0  0  0  0  0  0  4
    3.4709   -0.0684    0.0010 C   0  0  0  0  0  0  0  0  0  5
    2.3079   -0.7212    0.0015 C   0  0  0  0  0  0  0  0  0  6
    7.2694   -2.1048   -0.0020 C   0  0  0  0  0  0  0  0  0  7
    8.4259    0.0559   -0.0011 C   0  0  0  0  0  0  0  0  0  8
    1.0199    0.0494    0.0025 C   0  0  0  0  0  0  0  0  0  9
    2.2775   -2.2266    0.0012 C   0  0  0  0  0  0  0  0  0 10
    8.4679    1.5584   -0.0002 C   0  0  0  0  0  0  0  0  0 11
    5.9018    0.7874   -0.8900 H   0  0  0  0  0  0  0  0  0 12
    5.9027    0.7867    0.8903 H   0  0  0  0  0  0  0  0  0 13
    4.8199   -1.4527   -0.8904 H   0  0  0  0  0  0  0  0  0 14
    4.8208   -1.4535    0.8899 H   0  0  0  0  0  0  0  0  0 15
    3.4802    1.0216    0.0013 H   0  0  0  0  0  0  0  0  0 16
    8.2981   -2.4650   -0.0026 H   0  0  0  0  0  0  0  0  0 17
    6.7566   -2.4699   -0.8919 H   0  0  0  0  0  0  0  0  0 18
    6.7573   -2.4709    0.8879 H   0  0  0  0  0  0  0  0  0 19
    9.3594   -0.5068   -0.0018 H   0  0  0  0  0  0  0  0  0 20
    0.1802   -0.6456    0.0029 H   0  0  0  0  0  0  0  0  0 21
    0.9709    0.6772   -0.8872 H   0  0  0  0  0  0  0  0  0 22
    0.9720    0.6768    0.8926 H   0  0  0  0  0  0  0  0  0 23
    1.2429   -2.5697    0.0017 H   0  0  0  0  0  0  0  0  0 24
    2.7843   -2.6010    0.8907 H   0  0  0  0  0  0  0  0  0 25
    2.7832   -2.6005   -0.8891 H   0  0  0  0  0  0  0  0  0 26
    7.9653    1.9364    0.8901 H   0  0  0  0  0  0  0  0  0 27
    7.9655    1.9375   -0.8902 H   0  0  0  0  0  0  0  0  0 28
    9.8643    2.9795    0.0009 H   0  0  0  0  0  0  0  0  0 29
  1 11  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 12  1  0  0  0
  2 13  1  0  0  0
  3  5  1  0  0  0
  3 14  1  0  0  0
  3 15  1  0  0  0
  4  7  1  0  0  0
  4  8  2  0  0  0
  5  6  2  0  0  0
  5 16  1  0  0  0
  6  9  1  0  0  0
  6 10  1  0  0  0
  7 17  1  0  0  0
  7 18  1  0  0  0
  7 19  1  0  0  0
  8 11  1  0  0  0
  8 20  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
643820

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
150

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADACggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAEAAAgAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2Z)-3,7-dimethylocta-2,6-dien-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(2Z)-3,7-dimethyl-1-octa-2,6-dienol

> <PUBCHEM_IUPAC_NAME>
(2Z)-3,7-dimethylocta-2,6-dien-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2Z)-3,7-dimethylocta-2,6-dien-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2Z)-3,7-dimethylocta-2,6-dien-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-

> <PUBCHEM_IUPAC_INCHIKEY>
GLZPCOQZEFWAFX-YFHOEESVSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
154.136

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
154.249

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC(=CCO)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC/C(=C\CO)/C)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
154.136

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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

$$$$
