(1,1'-Bi(cyclohexane))-4-carboxylic acid

HCID 3062287

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

Related reactions

6 records

Compound notes

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