2,3,5-Trimethyl-2-cyclopentenone
Basic information
- CAS
54562-24-2- Standard SMILES
CC1=C(C)C(=O)C(C)C1- InChIKey
HNZWNWPTJZTRTK-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 2,3,5-Trimethyl-2-cyclopentenone
- IUPAC
- 2,3,5-trimethylcyclopent-2-en-1-one
Names & synonyms
2,3,5-trimethylcyclopent-2-en-1-one2,3,5-TRIMETHYL-2-CYCLOPENTENONE54562-24-2T2VPY5O92HUNII-T2VPY5O92HSCHEMBL2806741DTXSID00969800HNZWNWPTJZTRTK-UHFFFAOYSA-N2,3,5-trimethylcyclopent-2-enone2,3,5-trimethyl-cyclopent-2-en-1-one2-Cyclopenten-1-one, 2,3,5-trimethyl2-Cyclopenten-1-one, 2,3,5-trimethyl-
Database identifiers
- CAS
54562-24-2- PubChem CID
- 41126
- DTXSID
DTXSID00969800- UNII
- T2VPY5O92H
- Nikkaji
- J47.469J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 177
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Compound notes
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