Basic information
- CAS
72008-46-9- Standard SMILES
CC(=O)CCC1=C(C)C(=O)CCC1(C)C- InChIKey
QUHPCHDTFDSTTL-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Overview
4-Oxodihydro-b-ionone is a sesquiterpenoid.
Names & identifiers
- Preferred name
- 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone
- IUPAC
- 2,4,4-trimethyl-3-(3-oxobutyl)cyclohex-2-en-1-one
Names & synonyms
4-Oxodihydro-b-ionone2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone2,4,4-trimethyl-3-(3-oxobutyl)cyclohex-2-en-1-one72008-46-9SCHEMBL27882961DTXSID60344396CHEBI:211734QUHPCHDTFDSTTL-UHFFFAOYSA-N3-Oxo-7,8-dihydro-.beta.-ionol2,4,4-Trimethyl-3-(3-oxobutyl)-2-cyclohexen-1-one2,4,4-Trimethyl-3-(3-oxobutyl)-2-cyclohexen-1-one #
Database identifiers
- CAS
72008-46-9- PubChem CID
- 596567
- DTXSID
DTXSID60344396- ChEBI
CHEBI:211734
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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