chempirical

1,16-Hexadecanediol

C16H34O2CAS 7735-42-4258.45 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C16H34O2
Molar mass
258.45 g/mol
Exact mass
258.2559 Da
Melting point
91.2–91.5 °C
Boiling point
197.9 °C (at 3 Torr)
logP
4.43Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
15

Identifiers

CAS number
7735-42-4
SMILES
OCCCCCCCCCCCCCCCCO
InChIKey
GJBXIPOYHVMPQJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H34O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2

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Names and synonyms

1 names
  • 1,16-Dihydroxyhexadecane

Work with 1,16-Hexadecanediol

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 1,12-Dodecanediol5675-51-4100 % similar 1,6-Hexanediol629-11-8100 % similar 1,7-Heptanediol629-30-1100 % similar 1,8-Octanediol629-41-4100 % similar

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

Same formula

1,2-Hexadecanediol6920-24-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook