4-(4-Ethylcyclohexyl)cyclohexanone

C₁₄H₂₄OCAS 150763-13-6208.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₄O
Molar mass: 208.34 g/mol
Exact mass: 208.1827 Da
logP: 3.96Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 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

150763-13-6

SMILES

CCC1CCC(CC1)C2CCC(=O)CC2

InChIKey

ICCIOWLZPJIEBA-UHFFFAOYSA-N

InChI

InChI=1S/C14H24O/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h11-13H,2-10H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-(4-Ethylcyclohexyl)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-Ethylcyclohexanone5441-51-075 % similar trans-4′-Propyl[1,1′-bicyclohexyl]-4-one82832-73-368 % similar trans-4′-Butyl[1,1′-bicyclohexyl]-4-one92413-47-363 % similar trans-4′-Pentyl[1,1′-bicyclohexyl]-4-one84868-02-061 % similar (Trans,trans)-4′-Ethyl[1,1′-bicyclohexyl]-4-carboxylic acid84976-67-053 % similar 4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone117923-32-752 % similar 4-Isopropylcyclohexanone5432-85-950 % similar (Trans,trans)-4-Ethyl-4′-propyl-1,1′-bicyclohexyl96624-41-850 % similar

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

Same formula

Bacdanol28219-61-6 Ebanol67801-20-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook