Basic information
- CAS
54639-81-5- Standard SMILES
CC1(C)C=C(O)C(=O)C1- InChIKey
VMJQWHBQSDAUBG-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- 2-Cyclopenten-1-one, 2-hydroxy-4,4-dimethyl
- IUPAC
- 2-hydroxy-4,4-dimethylcyclopent-2-en-1-one
Names & synonyms
2-Cyclopenten-1-one, 2-hydroxy-4,4-dimethyl54639-81-5DTXSID90336047RefChem:259932DTXCID40287136VMJQWHBQSDAUBG-UHFFFAOYSA-N2-hydroxy-4,4-dimethylcyclopent-2-en-1-one
Database identifiers
- CAS
54639-81-5- PubChem CID
- 528700
- DTXSID
DTXSID90336047- Nikkaji
- J1.161.408F
Properties
Computed structural properties
- XLogP
- 1.3
- 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
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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