4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone

C₁₇H₃₀OCAS 117923-32-7250.43 g/mol

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Properties

Molecular formula: C₁₇H₃₀O
Molar mass: 250.43 g/mol
Exact mass: 250.2297 Da
logP: 5.13Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5
Stereocentres: r, sin SMILES atom order

Identifiers

CAS number

117923-32-7

SMILES

CCC[C@H]1CC[C@H](CCC2CCC(=O)CC2)CC1

InChIKey

OLRRTAGESHHXPY-SHTZXODSNA-N

InChI

InChI=1/C17H30O/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18)13-11-16/h14-16H,2-13H2,1H3/t14-,15-

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Names and synonyms

2 names

Cyclohexanone, 4-[2-(trans-4-propylcyclohexyl)ethyl]-
Cyclohexanone, 4-[2-(4-propylcyclohexyl)ethyl]-, trans-

Work with 4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone

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-Propylcyclohexanone40649-36-395 % similar trans-4′-Propyl[1,1′-bicyclohexyl]-4-one82832-73-380 % similar trans-4-[2-(4-Pentylcyclohexyl)ethyl]cyclohexanone121040-08-273 % similar 4-Pentylcyclohexanone61203-83-669 % similar trans-4′-Butyl[1,1′-bicyclohexyl]-4-one92413-47-362 % similar 4-Ethylcyclohexanone5441-51-060 % similar 5-Nonanone502-56-748 % similar 4-Propylpiperidine22398-09-046 % similar

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

Same formula

Civetone542-46-1 trans-4′-Pentyl[1,1′-bicyclohexyl]-4-one84868-02-0

Elsewhere

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