chempirical

(1s,4r)-4-Propylcyclohexane-1-carboxylic acid

C10H18O2CAS 38289-27-9170.25 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C10H18O2
Molar mass
170.25 g/mol
Exact mass
170.1307 Da
logP
2.68Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
38289-27-9
SMILES
CCCC1CCC(CC1)C(=O)O
InChIKey
QCNUKEGGHOLBES-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)

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Names and synonyms

1 names
  • trans-4-Propylcyclohexanecarboxylic acid

Work with (1s,4r)-4-Propylcyclohexane-1-carboxylic 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

(Trans,trans)-4′-Propyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-32-089 % similar Buciclic acid38289-28-079 % similar Valproic acid99-66-176 % similar trans-4-Pentylcyclohexanecarboxylic acid38289-29-176 % similar (Trans,trans)-4′-Pentyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-33-169 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-763 % similar Cyclopropanecarboxylic acid1759-53-163 % similar 1,4-Cyclohexanedicarboxylic acid619-81-863 % similar

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

Same formula

Methyl 2-nonenoate111-79-5 Linalool oxide1365-19-1 Hexyl methacrylate142-09-6 Allyl heptanoate142-19-8 9-Decenoic acid14436-32-9 Cyclohexyl butyrate1551-44-6 cis-3-Hexenyl butanoate16491-36-4 (+)-Pinanediol18680-27-8

Elsewhere

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