1,1′-[Ethylidenebis(oxy)]bis[hexane]

C14H30O2CAS 5405-58-3230.39 g/mol

Open in Covalent MOL file
OO
AcetalEther

Properties

Molecular formula
C14H30O2
Molar mass
230.39 g/mol
Exact mass
230.2246 Da
logP
4.53Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
12

Hazards

Not classified as hazardous under GHS by 141 ECHA notifiers. Aggregated from 141 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
5405-58-3
SMILES
CCCCCCOC(C)OCCCCCC
InChIKey
VSFOOCQEJQKBSO-UHFFFAOYSA-N
InChI
InChI=1S/C14H30O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h14H,4-13H2,1-3H3

Weigh it out

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

Names and synonyms

5 names
  • Hexane, 1,1′-[ethylidenebis(oxy)]bis-
  • Acetaldehyde, dihexyl acetal
  • 1,1-Bis(hexyloxy)ethane
  • NSC 5187
  • 1-(1-Hexoxyethoxy)hexane

Work with 1,1′-[Ethylidenebis(oxy)]bis[hexane]

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

2-Methyl-1,3-dioxolane497-26-752 % similar Dihexyl ether112-58-352 % similar Octyl ether629-82-352 % similar 1,1′,1′′-[Methylidynetris(oxy)]tris[butane]588-43-250 % similar Hexyl methyl ether4747-07-348 % similar Pentyl ether693-65-248 % similar Butylcyclohexane1678-93-946 % similar Pentylcyclohexane4292-92-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,14-Tetradecanediol19812-64-7 1,2-Tetradecanediol21129-09-9 Polyethylene glycol lauryl ether6540-99-4 Polyethylene glycol lauryl ether9002-92-0

Elsewhere

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