Basic information
- CAS
77806-60-1- Standard SMILES
C=CCC1C(=O)C=CC1(C)O- InChIKey
HNNRFEWGWVQYNP-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- 4-Hydroxy-4-methyl-5-(prop-2-en-1-yl)cyclopent-2-en-1-one
- IUPAC
- 4-hydroxy-4-methyl-5-prop-2-enylcyclopent-2-en-1-one
- English name
- 4-Hydroxy-4-methyl-5-(2-propenyl)-2-cyclopenten-1-one
- Molecular weight
- 0
Names & synonyms
77806-60-14-Hydroxy-4-methyl-5-(prop-2-en-1-yl)cyclopent-2-en-1-oneSCHEMBL10387032DTXSID70512201HNNRFEWGWVQYNP-UHFFFAOYSA-N2-allyl-3-hydroxy-3-methyl-4-cyclopentenone4-hydroxy-4-methyl-5-allyl-2-cyclopentenone4-hydroxy-4-methyl-5-allyl-2-cylcopentenone4-Hydroxy-4-methyl-5-(2-propenyl)-2-cyclopenten-1-one
Database identifiers
- CAS
77806-60-1- PubChem CID
- 12879872
- DTXSID
DTXSID70512201- Nikkaji
- J107.322B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 218
Related reactions
29 records
Compound notes
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