2-Methyl-4-propyl-1,3-oxathiane

C₈H₁₆OSCAS 67715-80-4160.27 g/mol

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Properties

Molecular formula: C₈H₁₆OS
Molar mass: 160.27 g/mol
Exact mass: 160.0922 Da
logP: 2.65Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

67715-80-4

SMILES

CCCC1CCOC(C)S1

InChIKey

GKGOLPMYJJXRGD-UHFFFAOYSA-N

InChI

InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3

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Names and synonyms

3 names

1,3-Oxathiane, 2-methyl-4-propyl-
Tropathiane
Oxanthia

Work with 2-Methyl-4-propyl-1,3-oxathiane

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-(Methylthio)hexyl acetate51755-85-235 % similar 2-Methylpentane107-83-532 % similar 4-Methylheptane589-53-732 % similar 3-(Methylthio)-1-hexanol51755-66-931 % similar 1,1′,1′′-[Methylidynetris(oxy)]tris[propane]621-76-131 % similar

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

Elsewhere

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