2-Hydroxy-3,5,5-trimethyl-2-cyclopenten-1-one
Basic information
- CAS
53263-56-2- Standard SMILES
CC1=C(O)C(=O)C(C)(C)C1- InChIKey
JLMOFSIIXFOYRP-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- 2-Hydroxy-3,5,5-trimethyl-2-cyclopenten-1-one
- IUPAC
- 2-hydroxy-3,5,5-trimethylcyclopent-2-en-1-one
Names & synonyms
2-Hydroxy-3,5,5-trimethyl-2-cyclopenten-1-one53263-56-2RefChem:2616352-Cyclopenten-1-one, 2-hydroxy-3,5,5-trimethyl2-hydroxy-3,5,5-trimethylcyclopent-2-en-1-oneSCHEMBL20269352JLMOFSIIXFOYRP-UHFFFAOYSA-NDTXSID401251581
Database identifiers
- CAS
53263-56-2- PubChem CID
- 528699
- DTXSID
DTXSID401251581- Nikkaji
- J581.597E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 211
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Compound notes
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