Basic information
- CAS
22567-38-0- Standard SMILES
CC1=CCC(C2(C)CCC(=O)C(C)(C)O2)CC1- InChIKey
MJWZYBQLHJQQJJ-UHFFFAOYSA-N- Molecular formula
- C15H24O2
- Average molar mass
- 236.35 g/mol
- Monoisotopic mass
- 236.17763
Overview
(S-(R*,R*))-Dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3(4H)-one has been reported in Matricaria chamomilla with data available.
Names & identifiers
- Preferred name
- 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one
- IUPAC
- 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one
- English name
- [S-(R*,R*)]-dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3(4H)-one
- Molecular formula
- C15H24O2
- Molecular weight
- 236.35
Names & synonyms
2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-oneEINECS 245-087-8SCHEMBL30115790DTXSID00945220NS000501836-(4-Acetyl-1-piperazinyl)-8-(2-furyl)-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrilebisabolone oxideBisabolone oxide AALPHA-BISABOLOLOXIDE(S)-5,6-Dihydro-2,2,6-trimethyl-6-[(S)-4-methyl-3-cyclohexen-1-yl]-2H-pyran-3(4H)-one[S-(R*,R*)]-dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3(4H)-one2H-Pyran-3(4H)-one, dihydro-2,2,6-trimethyl-6-[(1S)-4-methyl-3-cyclohexen-1-yl]-, (6S)-
Database identifiers
- CAS
22567-38-0- PubChem CID
- 90807
- DTXSID
DTXSID00945220
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 320.3 · 320.3±42.0 °C(Predicted)
- Density
- 0.975 · 0.975±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
UsesBisabolone oxide A is an α-glucosidase inhibitor[1].
Suppliers18 total
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Related reactions
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Compound notes
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