Humulene epoxide II

Humulene epoxide II
Compound Structure:
Synonyms: (1R,3E,7E,11R)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene; (-)-Humulene epoxide II; Humulene oxide II; Humulene II epoxide; Humulene-1,2-epoxide; .alpha.-Humulene epoxide II; 12-Oxabicyclo[9.1.0]dodeca-3,7-diene, 1,5,5,8-tetramethyl-, (1R,3E
Compound ID: NMPC-1134
PubChem ID:

10704181
Molecular Formula: C15H24O
Canonical SMILES: CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C
InChIKey: QTGAEXCCAPTGLB-UOAUIWSESA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

220.35 g/mol

XLogP3-AA

3.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

220.182715385 g/mol

Monoisotopic Mass

220.182715385 g/mol

Topological Polar Surface Area

12.5Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

324

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

2

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem            
Source Species: Greenwayodendron suaveolens
Phyllanthus muellerianus
Senna podocarpa
Vitex doniana
Araucaria cunninghamii
Taxodium distichum
Mucuna pruriens
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