chempirical

4-(trans-4-Pentylcyclohexyl)benzoic acid

C18H26O2CAS 65355-30-8274.40 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C18H26O2
Molar mass
274.40 g/mol
Exact mass
274.1933 Da
Melting point
152–155 °C
logP
5.24Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6
Stereocentres
r, sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
65355-30-8
SMILES
CCCCC[C@H]1CC[C@H](c2ccc(C(=O)O)cc2)CC1
InChIKey
YXKKMVGGPRVHIL-SHTZXODSNA-N
InChI
InChI=1/C18H26O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h10-15H,2-9H2,1H3,(H,19,20)/t14-,15-

Weigh it out

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Names and synonyms

5 names
  • Benzoic acid, 4-(trans-4-pentylcyclohexyl)-
  • Benzoic acid, 4-(4-pentylcyclohexyl)-, trans-
  • p-(trans-4-Pentylcyclohexyl)benzoic acid
  • 4′-(4-trans-Pentylcyclohexyl)benzoic acid
  • trans-4-(4-n-Pentylcyclohexyl)benzoic acid

Work with 4-(trans-4-Pentylcyclohexyl)benzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(trans-4-Butylcyclohexyl)benzoic acid83626-35-192 % similar 4-(trans-4-Propylcyclohexyl)benzoic acid65355-29-582 % similar 4-(trans-4-Ethylcyclohexyl)benzoic acid87592-41-470 % similar 4-Cyclohexylbenzoic acid20029-52-166 % similar 4-(trans-4-Pentylcyclohexyl)phenol82575-69-761 % similar 4-(trans-4-Pentylcyclohexyl)-1-fluorobenzene76802-61-457 % similar 1-Bromo-4-(trans-4-pentylcyclohexyl)benzene79832-89-657 % similar 4-(trans-4-Pentylcyclohexyl) phenyl boronic acid143651-26-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Nandrolone434-22-0 Empenthrin54406-48-3 Cinmethylin87818-31-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook