6-(2-Oxocyclopentyl)hexanoic acid
Basic information
- CAS
40942-89-0- Standard SMILES
O=C(O)CCCCCC1CCCC1=O- InChIKey
PGTPCJJMOJCWHV-UHFFFAOYSA-N- Molecular formula
- C11H18O3
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.12559443
Names & identifiers
- Preferred name
- 6-(2-Oxocyclopentyl)hexanoic acid
- IUPAC
- 6-(2-oxocyclopentyl)hexanoic acid
Names & synonyms
6-(2-Oxocyclopentyl)hexanoic acid40942-89-0DTXSID30961312RefChem:1073677DTXCID701389143Cyclopentanehexanoic acid, 2-oxo-BRN 27212962-(5-Carboxypentyl)cyclopentanoneSCHEMBL8829499
Database identifiers
- CAS
40942-89-0- PubChem CID
- 218609
- DTXSID
DTXSID30961312
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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