chempirical

1,6-Hexanediol

C6H14O2CAS 629-11-8118.18 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C6H14O2
Molar mass
118.18 g/mol
Exact mass
118.0994 Da
Density
0.967 g/mL (at 0 °C)
Melting point
42.8 °C
Boiling point
208 °C
logP
0.53Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Identifiers

CAS number
629-11-8
SMILES
OCCCCCCO
InChIKey
XXMIOPMDWAUFGU-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2

Weigh it out

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

Names and synonyms

8 names
  • Hexamethylene glycol
  • Hexamethylenediol
  • 1,6-Dihydroxyhexane
  • α,ω-Hexanediol
  • ω-Hexanediol
  • NSC 508
  • 1,6-Hexylene glycol
  • Hexane-1,6-diol

Work with 1,6-Hexanediol

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 1,8-Octanediol629-41-4100 % similar 1,11-Undecanediol765-04-8100 % similar

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

Same formula

1,1-Diethoxyethane105-57-7 2-Methyl-2,4-pentanediol107-41-5 2-Butoxyethanol111-76-2 1-Propoxy-2-propanol1569-01-3 2,5-Hexanediol2935-44-6 3-Methyl-1,5-pentanediol4457-71-0 3-Methoxy-3-methyl-1-butanol56539-66-3 3-Methyl-2,4-pentanediol5683-44-3

Elsewhere

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