chempirical

Octyl ether

C16H34OCAS 629-82-3242.45 g/mol

Open in Covalent MOL file
O
Ether

Properties

Molecular formula
C16H34O
Molar mass
242.45 g/mol
Exact mass
242.2610 Da
Density
0.807 g/mL (at 15 °C)
Melting point
−7.6 °C
Boiling point
283 °C
Flash point
100 °C
logP
5.72Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
14

Hazards

Not classified as hazardous under GHS by 173 ECHA notifiers. Aggregated from 173 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
629-82-3
SMILES
CCCCCCCCOCCCCCCCC
InChIKey
NKJOXAZJBOMXID-UHFFFAOYSA-N
InChI
InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

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

Names and synonyms

13 names · show all
  • Octane, 1,1′-oxybis-
  • 1,1′-Oxybis[octane]
  • Antar
  • Caprylic ether
  • Dioctyl ether
  • n-Octyl ether
  • Di-n-octyl ether
  • Bis(1-octyl) ether
  • Cetiol OE
  • Dicaprylyl ether
  • NSC 28948
  • Cosmacol OE
  • 1-Octoxyoctane

Work with Octyl ether

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

Dihexyl ether112-58-3100 % similar Pentyl ether693-65-293 % similar Dibutyl ether142-96-175 % similar 2-Hexoxyethanol112-25-471 % similar 2-(Octadecyloxy)ethanol2136-72-371 % similar 3-(Hexadecyloxy)propan-1-ol23377-40-471 % similar Polyethylene glycol lauryl ether6540-99-471 % similar 3-(Dodecyloxy)propylamine7617-74-571 % similar

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

Same formula

Di(2-ethylhexyl)ether10143-60-9 2-Hexyl-1-decanol2425-77-6 Cetyl alcohol36653-82-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook