chempirical

1,2-Hexanediol

C6H14O2CAS 6920-22-5118.18 g/mol

Open in Covalent MOL file
OHOH
Alcohol

Properties

Molecular formula
C6H14O2
Molar mass
118.18 g/mol
Exact mass
118.0994 Da
Boiling point
96–98 °C (at 1 Torr)
logP
0.53Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
6920-22-5
SMILES
CCCCC(O)CO
InChIKey
FHKSXSQHXQEMOK-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • 5,6-Dihydroxyhexane
  • 1,2-Dihydroxyhexane
  • (±)-Hexane-1,2-diol
  • DL-1,2-Hexanediol
  • 1,2-Hexyleneglycol
  • KMO 6
  • Hydrolite 6

Work with 1,2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Octanediol1117-86-883 % similar 1,2-Decanediol1119-86-483 % similar 1,2-Dodecanediol1119-87-583 % similar 1,2-Tetradecanediol21129-09-983 % similar 1,2-Hexadecanediol6920-24-783 % similar 1,2-Pentanediol5343-92-073 % similar 3-Heptanol589-82-263 % similar 6-Undecanol23708-56-761 % 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 (2R,5R)-2,5-Hexanediol17299-07-9 2,5-Hexanediol2935-44-6 3-Methyl-1,5-pentanediol4457-71-0 3-Methoxy-3-methyl-1-butanol56539-66-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook