chempirical

1,10-Decanediol

C10H22O2CAS 112-47-0174.28 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C10H22O2
Molar mass
174.28 g/mol
Exact mass
174.1620 Da
Melting point
74 °C
Boiling point
71.5 °C
logP
2.09Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
9

Identifiers

CAS number
112-47-0
SMILES
OCCCCCCCCCCO
InChIKey
FOTKYAAJKYLFFN-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2

Weigh it out

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

Names and synonyms

10 names
  • Decamethylene glycol
  • 1,10-Decamethylenediol
  • Decamethylenediol
  • α,ω-Decanediol
  • 1,10-Dihydroxydecane
  • NSC 17165
  • Speziol C 10/2
  • 1,10-Decamethylene glycol
  • 1,10-Decyleneglycol
  • D 0014

Work with 1,10-Decanediol

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 1,14-Tetradecanediol19812-64-7100 % similar 1,9-Nonanediol3937-56-2100 % similar 1,12-Dodecanediol5675-51-4100 % 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

1,1-Dimethoxyoctane10022-28-3 3,7-Dimethyl-1,7-octanediol107-74-4 1,2-Decanediol1119-86-4 Glycol dibutyl ether112-48-1 1,1-Diethoxyhexane3658-93-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook