chempirical

1,9-Nonanediol

C9H20O2CAS 3937-56-2160.26 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C9H20O2
Molar mass
160.26 g/mol
Exact mass
160.1463 Da
Melting point
45.8 °C
Boiling point
147–149 °C (at 1 Torr)
logP
1.70Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
8

Identifiers

CAS number
3937-56-2
SMILES
OCCCCCCCCCO
InChIKey
ALVZNPYWJMLXKV-UHFFFAOYSA-N
InChI
InChI=1S/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2

Weigh it out

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

Names and synonyms

4 names
  • α,ω-Nonanediol
  • 1,9-Dihydroxynonane
  • NSC 5416
  • Nonamethylene glycol

Work with 1,9-Nonanediol

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 1,12-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

2-Butyl-2-ethyl-1,3-propanediol115-84-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook