2,3,4,5,6,6-Hexamethylcyclohexa-2,4-dien-1-one

C₁₂H₁₈OCAS 3854-96-4178.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₈O
Molar mass: 178.27 g/mol
Exact mass: 178.1358 Da
logP: 3.27Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

3854-96-4

SMILES

CC1=C(C(=O)C(C(=C1C)C)(C)C)C

InChIKey

ONRODSXUOQUQMU-UHFFFAOYSA-N

InChI

InChI=1S/C12H18O/c1-7-8(2)10(4)12(5,6)11(13)9(7)3/h1-6H3

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

Names and synonyms

4 names

2,4-Cyclohexadien-1-one, 2,3,4,5,6,6-hexamethyl-
2,3,4,5,6,6-Hexamethylcyclohexadienone
2,3,4,5,6,6-Hexamethyl-2,4-cyclohexadien-1-one
2,3,4,5,6,6-Hexamethyl-cyclohexa-2,4-dien-1-one

Work with 2,3,4,5,6,6-Hexamethylcyclohexa-2,4-dien-1-one

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

2,2,4,4-Tetramethylcyclobutanedione933-52-833 % similar

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

Same formula

α-Ethyl-α-methylbenzenepropanol10415-87-9 Benzyl isopentyl ether122-73-6 Amylmetacresol1300-94-3 Cyclohexenylcyclohexanone1502-22-3 1-Acetyladamantane1660-04-4 2,4-Dimethyl-6-tert-butylphenol1879-09-0 Propofol2078-54-8 2,3,4,5,6-Pentamethylbenzenemethanol484-66-2

Elsewhere

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