1,2-Hexadecanediol

C₁₆H₃₄O₂CAS 6920-24-7258.45 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₃₄O₂
Molar mass: 258.45 g/mol
Exact mass: 258.2559 Da
Melting point: 73.5–73.6 °C
logP: 4.43Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 14

Identifiers

CAS number

6920-24-7

SMILES

CCCCCCCCCCCCCCC(O)CO

InChIKey

BTOOAFQCTJZDRC-UHFFFAOYSA-N

InChI

InChI=1S/C16H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h16-18H,2-15H2,1H3

Weigh it out

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

Names and synonyms

4 names

1,2-Dihydroxyhexadecane
2-Hydroxycetyl alcohol
1,2-Hexadecylene glycol
NSC 71525

Work with 1,2-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

1,2-Octanediol1117-86-8100 % similar 1,2-Decanediol1119-86-4100 % similar 1,2-Dodecanediol1119-87-5100 % similar 1,2-Tetradecanediol21129-09-9100 % 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

1,16-Hexadecanediol7735-42-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook