2-n-Butyl-2-methylcyclohexanone

C₁₁H₂₀OCAS 1197-78-0168.28 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: 3

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

1197-78-0

SMILES

CCCCC1(CCCCC1=O)C

InChIKey

SGVWFCRSGQMOOV-UHFFFAOYSA-N

InChI

InChI=1S/C11H20O/c1-3-4-8-11(2)9-6-5-7-10(11)12/h3-9H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

2-Butyl-2-methylcyclohexan-1-one

Reactions

2-n-BUTYL-2-METHYLCYCLOHEXANONE (Cyclohexanone, 2-butyl-2-methyl-)product

Work with 2-n-Butyl-2-methylcyclohexanone

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

2-Chloro-2-methylcyclohexan-1-one10409-46-848 % similar 2,2-Dimethyl-3-hexanone5405-79-843 % similar 4-Nonanone4485-09-042 % similar 2,2-Dimethylcyclopentanone4541-32-642 % similar 4-Undecanone14476-37-041 % similar 4-Decanone624-16-841 % similar 2,2-Dimethylcyclohexane-1,3-dione562-13-040 % similar 2,2-Dimethylhexanoic acid813-72-940 % similar

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

Same formula

Ethyl linalool10339-55-6 10-Undecenal112-45-8 2-Hexylcyclopentanone13074-65-2 4-tert-Amylcyclohexanone16587-71-6 2-Undecenal2463-77-6 10-Undecyn-1-ol2774-84-7 (E)-2-Undecenal53448-07-0 4-Pentylcyclohexanone61203-83-6

Elsewhere

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