chempirical

1,12-Dodecanediol

C12H26O2CAS 5675-51-4202.34 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C12H26O2
Molar mass
202.34 g/mol
Exact mass
202.1933 Da
Melting point
81.3 °C
Boiling point
175–180 °C (at 3 Torr)
logP
2.87Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
11

Identifiers

CAS number
5675-51-4
SMILES
OCCCCCCCCCCCCO
InChIKey
GHLKSLMMWAKNBM-UHFFFAOYSA-N
InChI
InChI=1S/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2

Weigh it out

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

Names and synonyms

5 names
  • 1,12-Dihydroxydodecane
  • n-Dodecane-1,12-diol
  • α,ω-Dodecanediol
  • NSC 81250
  • D 0969

Work with 1,12-Dodecanediol

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

1,5-Pentanediol111-29-5100 % similar 1,10-Decanediol112-47-0100 % similar 1,14-Tetradecanediol19812-64-7100 % similar 1,9-Nonanediol3937-56-2100 % similar 1,6-Hexanediol629-11-8100 % 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

1,2-Dodecanediol1119-87-5 1,1-Dimethoxydecane7779-41-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook