2-(2-Cyclohexylethyl)octanoic acid
Basic information
- CAS
7077-71-6- Standard SMILES
CCCCCCC(CCC1CCCCC1)C(=O)O- InChIKey
WWDJPNTZDVALDA-UHFFFAOYSA-N- Molecular formula
- C16H30O2
- Average molar mass
- 254.41 g/mol
- Monoisotopic mass
- 254.2245802
Names & identifiers
- Preferred name
- 2-(2-Cyclohexylethyl)octanoic acid
- IUPAC
- 2-(2-cyclohexylethyl)octanoic acid
Names & synonyms
7077-71-6NSC 1590032-(2-cyclohexylethyl)octanoic acidNSC159003SCHEMBL5372534CHEMBL4644923DTXSID40303542NSC-159003
Database identifiers
- CAS
7077-71-6- PubChem CID
- 292833
- DTXSID
DTXSID40303542- ChEMBL
CHEMBL4644923
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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