carvotanacetone

carvotanacetone
Compound Structure:
Synonyms: Carvotanacetone;2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (S)-;(5S)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one;p-Menth-6-en-2-one, (S)-(+)-;(+)-Carvotanacetone;Carvotanacetone, (+)-;SCHEMBL11902533
Compound ID: NMPC-728
PubChem ID:

6432475
Molecular Formula: C10H16O
Canonical SMILES: CC1=CCC(CC1=O)C(C)C
InChIKey: WPGPCDVQHXOMQP-VIFPVBQESA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

152.23 g/mol

XLogP3-AA

2.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

152.120115130 g/mol

Monoisotopic Mass

152.120115130 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

189

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

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 tereticornis
Eucalyptus torelliana
Download SDF