Basic information
- CAS
38792-91-5- Standard SMILES
CCCC(C)CC1CCC(C(=O)O)CC1- InChIKey
QRURFLWNAVNGOS-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Names & identifiers
- Preferred name
- 4-(2-Methylpentyl)cyclohexanecarboxylic acid
- IUPAC
- 4-(2-methylpentyl)cyclohexane-1-carboxylic acid
Names & synonyms
4-(2-Methylpentyl)cyclohexanecarboxylic acid38792-91-5RefChem:10698394-(2-methylpentyl)cyclohexane-1-carboxylic acidBRN 2209573Cyclohexylcarboxylic acid, 4-(2-methylpentyl)-DTXSID30959597
Database identifiers
- CAS
38792-91-5- PubChem CID
- 217397
- DTXSID
DTXSID30959597- Nikkaji
- J77.893A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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