chempirical

1,8-Octanediol

C8H18O2CAS 629-41-4146.23 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C8H18O2
Molar mass
146.23 g/mol
Exact mass
146.1307 Da
Melting point
63 °C
Boiling point
140–150 °C
logP
1.31Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
7

Identifiers

CAS number
629-41-4
SMILES
OCCCCCCCCO
InChIKey
OEIJHBUUFURJLI-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2

Weigh it out

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

Names and synonyms

8 names
  • Octamethylene glycol
  • Octane-1,8-diol
  • 1,8-Dihydroxyoctane
  • α,ω-Octanediol
  • ω-Octanediol
  • 1,8-Octamethylene glycol
  • NSC 81228
  • 1,8-Octyleneglycol

Work with 1,8-Octanediol

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

1,5-Pentanediol111-29-5100 % similar 1,10-Decanediol112-47-0100 % similar 1,14-Tetradecanediol19812-64-7100 % similar 1,9-Nonanediol3937-56-2100 % similar 1,12-Dodecanediol5675-51-4100 % similar 1,7-Heptanediol629-30-1100 % similar 1,11-Undecanediol765-04-8100 % similar 1,16-Hexadecanediol7735-42-4100 % similar

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

Same formula

2,5-Dimethyl-2,5-hexanediol110-03-2 Di-tert-butyl peroxide110-05-4 1,2-Octanediol1117-86-8 2-Hexoxyethanol112-25-4 (3R,6R)-3,6-Octanediol129619-37-0 2,2,4-Trimethyl-1,3-pentanediol144-19-4 2-(2-Ethoxyethoxy)-2-methylpropane51422-54-9 Etohexadiol94-96-2

Elsewhere

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