Pinanediol

Pinanediol
Compound Structure:
Synonyms: 18680-27-8; (1S,2S,3R,5S)-(+)-2,3-pinanediol ;(+)-Pinanediol; (1S,2S,3R,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol; Pinanediol, (+)-
Compound ID: NMPC-1412
PubChem ID:

10219606
Molecular Formula: C10H18O2
Canonical SMILES: CC1(C2CC1C(C(C2)O)(C)O)C
InChIKey: MOILFCKRQFQVFS-OORONAJNSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

170.25 g/mol

XLogP3-AA

1.1

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

0

Exact Mass

170.130679813 g/mol

Monoisotopic Mass

170.130679813 g/mol

Topological Polar Surface Area

40.5Ų

Heavy Atom Count

12

Formal Charge

0

Complexity

212

Isotope Atom Count

0

Defined Atom Stereocenter Count

4

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem            
Source Species: Eucalyptus globulus
Eugenia aromatica
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