3,3,5,5-Tetramethylcyclohexanone

C₁₀H₁₈OCAS 14376-79-5154.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₈O
Molar mass: 154.25 g/mol
Exact mass: 154.1358 Da
Density: 0.8914 g/mL (at 20 °C)
Boiling point: 196–197 °C
logP: 2.79Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

14376-79-5

SMILES

CC1(C)CC(=O)CC(C)(C)C1

InChIKey

OQJMHUOCLRCSED-UHFFFAOYSA-N

InChI

InChI=1S/C10H18O/c1-9(2)5-8(11)6-10(3,4)7-9/h5-7H2,1-4H3

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

Names and synonyms

3 names

Cyclohexanone, 3,3,5,5-tetramethyl-
NSC 91511
3,3,5,5-Tetramethylcyclohexan-1-one

Work with 3,3,5,5-Tetramethylcyclohexanone

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

cis-Tetrahydro-3A,6A-dimethyl-2,5(1H,3H)-pentalenedione21170-10-552 % similar 3,3-Dimethylcyclohexanone2979-19-352 % similar 3,3,5-Trimethylcyclohexanone873-94-946 % similar 2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one1197-66-646 % similar Triacetonamine826-36-846 % similar Tempone2896-70-042 % similar 2,2,6,6-Tetramethyl-4-piperidone hydrochloride33973-59-041 % similar Dihydro-4,4-dimethyl-2H-pyran-2,6(3H)-dione4160-82-140 % similar

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

Same formula

P-Menthan-3-one10458-14-7 (-)-α-Terpineol10482-56-1 3-Decen-2-one10519-33-2 Citronellal106-23-0 Geraniol106-24-1 Nerol106-25-2 Isoborneol124-76-5 (-)-Linalool126-91-0

Elsewhere

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