1-[2-Hydroxy-4-(propan-2-yl)cyclopentyl]ethanone
Basic information
- CAS
91139-89-8- Standard SMILES
CC(=O)C1CC(C(C)C)CC1O- InChIKey
DXCDPYNVLRWIQU-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 1-[2-Hydroxy-4-(propan-2-yl)cyclopentyl]ethanone
- IUPAC
- 1-(2-hydroxy-4-propan-2-ylcyclopentyl)ethanone
Names & synonyms
91139-89-81-[2-hydroxy-4-(propan-2-yl)cyclopentyl]ethanoneNSC96752DTXSID40294461NSC-967521-[2-Hydroxy-4-(propan-2-yl)cyclopentyl]ethan-1-one
Database identifiers
- CAS
91139-89-8- PubChem CID
- 262802
- DTXSID
DTXSID40294461
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
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Compound notes
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