4-Pentylcyclohexanone

C₁₁H₂₀OCAS 61203-83-6168.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₂₀O
Molar mass: 168.28 g/mol
Exact mass: 168.1514 Da
logP: 3.33Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 606-051-00-0), via PubChem.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

61203-83-6

SMILES

CCCCCC1CCC(=O)CC1

InChIKey

UKLNPJDLSPMJMQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H20O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h10H,2-9H2,1H3

Weigh it out

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

Names and synonyms

4 names

Cyclohexanone, 4-pentyl-
4-n-Pentylcyclohexanone
4-Amylcyclohexanone
4-n-Amylcyclohexanone

Work with 4-Pentylcyclohexanone

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-4-[2-(4-Pentylcyclohexyl)ethyl]cyclohexanone121040-08-296 % similar trans-4′-Pentyl[1,1′-bicyclohexyl]-4-one84868-02-079 % similar 4-Propylcyclohexanone40649-36-372 % similar 4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone117923-32-769 % similar trans-4′-Butyl[1,1′-bicyclohexyl]-4-one92413-47-369 % similar 6-Undecanone927-49-160 % similar Pentylcyclohexane4292-92-658 % similar Heptylcyclohexane5617-41-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl linalool10339-55-6 10-Undecenal112-45-8 2-n-Butyl-2-methylcyclohexanone1197-78-0 2-Hexylcyclopentanone13074-65-2 4-tert-Amylcyclohexanone16587-71-6 2-Undecenal2463-77-6 10-Undecyn-1-ol2774-84-7 (E)-2-Undecenal53448-07-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook