Evodone
Basic information
- CAS
529-63-5- Standard SMILES
Cc1coc2c1C(=O)C[C@@H](C)C2- InChIKey
SMUXTLISYBPIAU-ZCFIWIBFSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Overview
Evodone is a monoterpenoid.
Names & identifiers
- Preferred name
- Evodone
- IUPAC
- (6S)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one
Names & synonyms
Evodone529-63-5C09858AC1L9CW8CTK1H1276(6S)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-oneSureCN351647SCHEMBL351647CHEBI:4949DTXSID10331837Q27106584(6S)-3,6-Dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
Database identifiers
- CAS
529-63-5- PubChem CID
- 442471
- DTXSID
DTXSID10331837- ChEBI
CHEBI:4949
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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