4,4-Dimethyl-1,3-dioxane

C₆H₁₂O₂CAS 766-15-4116.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂O₂
Molar mass: 116.16 g/mol
Exact mass: 116.0837 Da
Density: 0.9634 g/mL (at 20 °C)
Boiling point: 131–132.5 °C
logP: 1.16Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

766-15-4

SMILES

CC1(C)CCOCO1

InChIKey

GDKSTFXHMBGCPG-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O2/c1-6(2)3-4-7-5-8-6/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

3 names

1,3-Dioxane, 4,4-dimethyl-
m-Dioxane, 4,4-dimethyl-
4,4-Dimethyl-m-dioxane

Work with 4,4-Dimethyl-1,3-dioxane

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

2,2,5,5-Tetramethyltetrahydrofuran15045-43-936 % similar Isobutylene oxide558-30-536 % similar 4,4,4′,4′,6,6,6′,6′-Octamethyl-2,2′-bi-1,3,2-dioxaborinane230299-46-432 % similar 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane78-63-731 % similar 2,2-Dimethyl-1,3-dioxolane2916-31-630 % similar Dioxolane646-06-030 % similar

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

Same formula

2-(Hydroxymethyl)tetrahydropyran100-72-1 3-Methylpentanoic acid105-43-1 sec-Butyl acetate105-46-4 Ethyl butyrate105-54-4 Propyl propanoate106-36-5 3,3-Dimethylbutanoic acid1070-83-3 Isobutyl acetate110-19-0 Isoamyl formate110-45-2

Elsewhere

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