1-(1,5-Dimethyl-4-hexen-1-yl)-4-methyl-1,4-cyclohexadiene
Basic information
- CAS
72345-84-7- Standard SMILES
CC(C)=CCCC(C)C1=CCC(C)=CC1- InChIKey
JXZQZARENYGJMK-UHFFFAOYSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
Beta-curcumene is a sesquiterpene that is alpha-curcumene in which the p-tolyl group has been reduced to a 4-methylcyclohexa-1,4-dien-1-yl group. It is a sesquiterpene and a cyclohexadiene.
Names & identifiers
- Preferred name
- 1-(1,5-Dimethyl-4-hexen-1-yl)-4-methyl-1,4-cyclohexadiene
- IUPAC
- 1-methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene
Names & synonyms
72345-84-71-(1,5-Dimethyl-4-hexen-1-yl)-4-methyl-1,4-cyclohexadieneRefChem:222347beta-Curcumene.beta.-curcumene1-methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-dieneSCHEMBL28929075CHEBI:62759DTXSID001197513Q271321491-(1,5-dimethyl-4-hexenyl)-4-methyl-1,4-cyclohexadiene1-(1,5-dimethyl-hex-4-enyl)-4-methyl-cyclohexa-1,4-diene
Show more names
(-)-1-[(1R)-1,5-Dimethyl-4-hexenyl]-4-methyl-1,4-cyclohexadiene
Database identifiers
- CAS
72345-84-7- PubChem CID
- 6428461
- DTXSID
DTXSID001197513- ChEBI
CHEBI:62759
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
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Compound notes
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