chempirical

1,2-Dodecanediol

C12H26O2CAS 1119-87-5202.34 g/mol

Open in Covalent MOL file
OHOH
Alcohol

Properties

Molecular formula
C12H26O2
Molar mass
202.34 g/mol
Exact mass
202.1933 Da
Melting point
60–61 °C
Boiling point
179–181 °C (at 4 Torr)
logP
2.87Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
10

Identifiers

CAS number
1119-87-5
SMILES
CCCCCCCCCCC(O)CO
InChIKey
ZITKDVFRMRXIJQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H26O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12-14H,2-11H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • 1,2-Dihydroxydodecane
  • 1,2-Dodecylene glycol
  • n-Dodecane-1,2-diol
  • NSC 25930
  • 2-Hydroxylauryl alcohol

Work with 1,2-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

1,2-Octanediol1117-86-8100 % similar 1,2-Decanediol1119-86-4100 % similar 1,2-Tetradecanediol21129-09-9100 % similar 1,2-Hexadecanediol6920-24-7100 % similar 1,2-Hexanediol6920-22-583 % similar 6-Undecanol23708-56-770 % similar 4-Decanol2051-31-268 % similar 1,2-Pentanediol5343-92-067 % similar

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

Same formula

1,12-Dodecanediol5675-51-4 1,1-Dimethoxydecane7779-41-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook