2-(3-Chloropropyl)-2,5,5-trimethyl-1,3-dioxane

C₁₀H₁₉ClO₂CAS 88128-57-8206.71 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether

Properties

Molecular formula: C₁₀H₁₉ClO₂
Molar mass: 206.71 g/mol
Exact mass: 206.1074 Da
logP: 2.79Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

88128-57-8

SMILES

CC1(C)COC(C)(CCCCl)OC1

InChIKey

LESDKFYPLUGGMG-UHFFFAOYSA-N

InChI

InChI=1S/C10H19ClO2/c1-9(2)7-12-10(3,13-8-9)5-4-6-11/h4-8H2,1-3H3

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Names and synonyms

1 names

1,3-Dioxane, 2-(3-chloropropyl)-2,5,5-trimethyl-

Work with 2-(3-Chloropropyl)-2,5,5-trimethyl-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one69225-59-833 % similar 1-Chloro-3,3-dimethylbutane2855-08-531 % similar 2-Methylpropyl 5-chloro-2,2-dimethylpentanoate109232-37-330 % similar Bis(neopentyl glycolato)diboron201733-56-430 % similar

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

Elsewhere

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