3,3-Dimethylcyclohexanone

C₈H₁₄OCAS 2979-19-3126.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₄O
Molar mass: 126.20 g/mol
Exact mass: 126.1045 Da
Density: 0.906 g/mL (at 20 °C)
Melting point: 173 °C
Boiling point: 180 °C
logP: 2.16Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

2979-19-3

SMILES

CC1(C)CCCC(=O)C1

InChIKey

ZVJQBBYAVPAFLX-UHFFFAOYSA-N

InChI

InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3

Weigh it out

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

Names and synonyms

2 names

Cyclohexanone, 3,3-dimethyl-
3,3-Dimethylcyclohexan-1-one

Work with 3,3-Dimethylcyclohexanone

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

3,3,5,5-Tetramethylcyclohexanone14376-79-552 % similar 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one69225-59-841 % similar 3,3,5-Trimethylcyclohexanone873-94-941 % similar 2,2-Dimethyltetrahydropyran-4-one1194-16-739 % similar cis-Tetrahydro-3A,6A-dimethyl-2,5(1H,3H)-pentalenedione21170-10-538 % similar Cyclohexanone108-94-138 % similar Cyclooctanone502-49-838 % similar Cyclopentadecanone502-72-738 % 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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