Basic information
- Standard SMILES
CC1(C)C(=O)C=CC1O- InChIKey
KXXNPFCWUOVVNF-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- 4-Hydroxy-5,5-dimethylcyclopent-2-enone
- IUPAC
- 4-hydroxy-5,5-dimethylcyclopent-2-en-1-one
Names & synonyms
SCHEMBL2949593KXXNPFCWUOVVNF-UHFFFAOYSA-N4-hydroxy-5,5-dimethylcyclopent-2-enone
Database identifiers
- PubChem CID
- 11137166
- Nikkaji
- J2.643.344D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 168
Related reactions
2 records
Compound notes
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