1,2-Decanediol

C₁₀H₂₂O₂CAS 1119-86-4174.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₂₂O₂
Molar mass: 174.28 g/mol
Exact mass: 174.1620 Da
Melting point: 48–49 °C
Boiling point: 93–96 °C (at 0.05 Torr)
logP: 2.09Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 8

Identifiers

CAS number

1119-86-4

SMILES

CCCCCCCCC(O)CO

InChIKey

YSRSBDQINUMTIF-UHFFFAOYSA-N

InChI

InChI=1S/C10H22O2/c1-2-3-4-5-6-7-8-10(12)9-11/h10-12H,2-9H2,1H3

Weigh it out

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

Names and synonyms

5 names

1,2-Dihydroxydecane
1,2-Decylene glycol
n-Decane-1,2-diol
NSC 28662
SymClariol

Work with 1,2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Octanediol1117-86-8100 % similar 1,2-Dodecanediol1119-87-5100 % 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

1,1-Dimethoxyoctane10022-28-3 3,7-Dimethyl-1,7-octanediol107-74-4 1,10-Decanediol112-47-0 Glycol dibutyl ether112-48-1 1,1-Diethoxyhexane3658-93-3

Elsewhere

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