α-Pinene oxide

α-Pinene oxide
Compound Structure:
Synonyms: alpha-Pinene oxide; 2,3-Epoxypinane ;1686-14-2; alpha-Pinene epoxide ;2-Pinene oxide
Compound ID: NMPC-1635
PubChem ID:

91508
Molecular Formula: C10H16O
Canonical SMILES: CC1(C2CC1C3(C(C2)O3)C)C
InChIKey: NQFUSWIGRKFAHK-UHFFFAOYSA-N
About the compound:

Alpha-pinene oxide is an epoxide of alpha-pinene. It has a role as a fragrance, a bacterial xenobiotic metabolite and a human metabolite. It is a pinanemonoterpenoid and an epoxide. It derives from a hydride of an alpha-pinene.

GHS Hazard Statements

H302 (94.12%): Harmful if swallowed [Warning Acute toxicity, oral]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

152.23 g/mol

XLogP3-AA

2.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

152.120115130 g/mol

Monoisotopic Mass

152.120115130 g/mol

Topological Polar Surface Area

12.5Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

221

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

4

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Source:PubChem
Source Species: Eucalyptus torelliana
Mucuna pruriens
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