chempirical

trans-4-Ethylcyclohexanecarboxylic acid

C9H16O2CAS 6833-47-2156.22 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C9H16O2
Molar mass
156.22 g/mol
Exact mass
156.1150 Da
logP
2.29Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

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
6833-47-2
SMILES
CCC1CCC(CC1)C(=O)O
InChIKey
UNROFSAOTBVBBT-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O2/c1-2-7-3-5-8(6-4-7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)

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Names and synonyms

1 names
  • 4-Ethylcyclohexanecarboxylic acid

Work with trans-4-Ethylcyclohexanecarboxylic 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′-Ethyl[1,1′-bicyclohexyl]-4-carboxylic acid84976-67-088 % similar (1s,4r)-4-Propylcyclohexane-1-carboxylic acid38289-27-968 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-765 % similar Cyclopropanecarboxylic acid1759-53-165 % similar 1,4-Cyclohexanedicarboxylic acid619-81-865 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-965 % similar 2-Ethylbutanoic acid88-09-564 % similar Buciclic acid38289-28-063 % similar

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

Same formula

Gamma-nonalactone104-61-0 2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one1197-66-6 Allyl hexanoate123-68-2 Olean180-84-7 2,6-Dimethyl-3,5-heptanedione18362-64-6 Hexyl acrylate2499-95-8 4-Hydroxynonenal29343-52-0 Ethyl cyclohexanecarboxylate3289-28-9

Elsewhere

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