isopiperitone

Compound Structure:

Synonyms:

3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one; Isopiperitenone; Isopiperitenon; p-Mentha-1,8-dien-3-one; 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethenyl)-; (S)-3-Methyl-6beta-isopropenyl-2-cyclohexene-1-one; Iso-piperitenone

Compound ID:

NMPC-1163

PubChem ID:

79036

Molecular Formula:

C10H14O

Canonical SMILES:

CC1=CC(=O)C(CC1)C(=C)C

InChIKey:

SEZLYIWMVRUIKT-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	150.22 g/mol
XLogP3-AA	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	150.104465066 g/mol
Monoisotopic Mass	150.104465066 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	223
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Tagetes erecta

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