Basic information
- CAS
80580-69-4- Standard SMILES
O=C(O)C1CCC(C2CCCCC2)CC1- InChIKey
CPKFMLAOYBETEI-UHFFFAOYSA-N- Molecular formula
- C13H22O2
- Average molar mass
- 210.31 g/mol
- Monoisotopic mass
- 210.16197994
Names & identifiers
- Preferred name
- (1,1'-Bi(cyclohexane))-4-carboxylic acid
- IUPAC
- 4-cyclohexylcyclohexane-1-carboxylic acid
Names & synonyms
DTXSID401001326(1,1'-Bi(cyclohexane))-4-carboxylic acid[1,1'-Bi(cyclohexane)]-4-carboxylic acidRefChem:1049162DTXCID80142827780580-69-4(Z)-4-Cyclohexylcyclohexylcarboxylic acid(Z)-4-Cyclohexylcyclohexanecarboxylic acidCyclohexanecarboxylic acid, 4-cyclohexyl-, (Z)-bicyclohexyl-4-carboxylic acidSCHEMBL6225010SCHEMBL9062383
Show more names
CPKFMLAOYBETEI-UHFFFAOYSA-N4-cyclohexyl-cyclohexanecarboxylic acid4-cyclohexyl-1-cyclohexylcarboxylic acid
Database identifiers
- CAS
80580-69-4- PubChem CID
- 3062287
- DTXSID
DTXSID401001326- Nikkaji
- J75.371H、J88.646G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Related reactions
6 records
Compound notes
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