4-Ethylcyclohexanone

C₈H₁₄OCAS 5441-51-0126.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₄O
Molar mass: 126.20 g/mol
Exact mass: 126.1045 Da
Density: 0.913 g/mL (at 20 °C)
Melting point: 87–88 °C
Boiling point: 193 °C
logP: 2.16Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

5441-51-0

SMILES

CCC1CCC(=O)CC1

InChIKey

OKSDJGWHKXFVME-UHFFFAOYSA-N

InChI

InChI=1S/C8H14O/c1-2-7-3-5-8(9)6-4-7/h7H,2-6H2,1H3

Weigh it out

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

Names and synonyms

2 names

Cyclohexanone, 4-ethyl-
NSC 21120

Work with 4-Ethylcyclohexanone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Propylcyclohexanone40649-36-363 % similar 4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone117923-32-760 % similar 4-Pentylcyclohexanone61203-83-656 % similar trans-4-[2-(4-Pentylcyclohexyl)ethyl]cyclohexanone121040-08-254 % similar 4-Methylcyclohexanone589-92-450 % similar trans-4′-Propyl[1,1′-bicyclohexyl]-4-one82832-73-348 % similar 4-Ethyloctanoic acid16493-80-447 % similar 4-Isopropylcyclohexanone5432-85-946 % similar

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

Same formula

3,5-Dimethyl-1-hexyn-3-ol107-54-0 Sulcatone110-93-0 3-Octyn-1-ol14916-80-4 3-Octen-2-one1669-44-9 2-(5-Hexen-1-yl)oxirane19600-63-6 2-Octyn-1-ol20739-58-6 Cyclohexyl vinyl ether2182-55-0 (E)-2-Octenal2548-87-0

Elsewhere

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