Humulene epoxide

Compound Structure:

Synonyms:

(4E,7E)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene; Humulene epoxide; Humulene-6,7-epoxide; .alpha.-humulene epoxide I

Compound ID:

NMPC-1133

PubChem ID:

Molecular Formula:

C15H24O

Canonical SMILES:

CC1=CCCC2(C(O2)CC(C=CC1)(C)C)C

InChIKey:

RKQDKXOBRXTSFS-PIHCAMFYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	220.35 g/mol
XLogP3-AA	3.9
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	12.5Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	324
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Murraya Koenigii

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