1,1-Diethoxyhexane

C10H22O2CAS 3658-93-3174.28 g/mol

Open in Covalent MOL file
OO
AcetalEther

Properties

Molecular formula
C10H22O2
Molar mass
174.28 g/mol
Exact mass
174.1620 Da
Boiling point
155–158 °C
logP
2.97Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Hazards

Warning
Flammable (GHS02)

Aggregated from 1,405 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
3658-93-3
SMILES
CCCCCC(OCC)OCC
InChIKey
WNHOMUCDFNTSEV-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-9H2,1-3H3

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Names and synonyms

3 names
  • Hexane, 1,1-diethoxy-
  • Hexanal, diethyl acetal
  • Hexylaldehyde diacetal

Work with 1,1-Diethoxyhexane

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

4-Chlorobutyraldehyde diethyl acetal6139-83-958 % similar 4,4-Diethoxy-1-butanamine6346-09-458 % similar 1,1-Dimethoxydecane7779-41-154 % similar 4,4-Diethoxy-N,N-dimethyl-1-butanamine1116-77-454 % similar 4-Methyl-2-pentyl-1,3-dioxolane1599-49-152 % similar 3-Ethoxyhexanal diethyl acetal101-33-750 % similar 3,3-Diethoxy-1-propanol16777-87-050 % similar 1,2-Epoxydecane2404-44-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethoxyoctane10022-28-3 3,7-Dimethyl-1,7-octanediol107-74-4 1,2-Decanediol1119-86-4 1,10-Decanediol112-47-0 Glycol dibutyl ether112-48-1

Elsewhere

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