chempirical

1,1-Dimethoxyoctane

C10H22O2CAS 10022-28-3174.28 g/mol

Open in Covalent MOL file
OO
AcetalEther

Properties

Molecular formula
C10H22O2
Molar mass
174.28 g/mol
Exact mass
174.1620 Da
logP
2.97Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Identifiers

CAS number
10022-28-3
SMILES
CCCCCCCC(OC)OC
InChIKey
BZOOCKAFKVYAOZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O2/c1-4-5-6-7-8-9-10(11-2)12-3/h10H,4-9H2,1-3H3

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

Names and synonyms

4 names
  • Octane, 1,1-dimethoxy-
  • Octanal, dimethyl acetal
  • n-Octylaldehyde dimethyl acetal
  • Octaldehyde dimethyl acetal

Work with 1,1-Dimethoxyoctane

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

1,1-Dimethoxydecane7779-41-1100 % similar Pentylcyclohexane4292-92-652 % similar Heptylcyclohexane5617-41-452 % similar 4,4-Dimethoxy-1-butanamine19060-15-250 % similar 1,2-Epoxydecane2404-44-650 % similar 1,2-Epoxydodecane2855-19-850 % similar 2-Hexyloxirane2984-50-150 % similar 4-Chloro-1,1-dimethoxybutane29882-07-350 % similar

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

Same formula

3,7-Dimethyl-1,7-octanediol107-74-4 1,2-Decanediol1119-86-4 1,10-Decanediol112-47-0 Glycol dibutyl ether112-48-1 1,1-Diethoxyhexane3658-93-3

Elsewhere

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