1,2,6-Hexanetriol

C₆H₁₄O₃CAS 106-69-4134.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₄O₃
Molar mass: 134.18 g/mol
Exact mass: 134.0943 Da
Density: 1.03 g/mL (at 20 °C)
Boiling point: 170 °C
logP: -0.50Crippen estimate
Polar surface area: 60.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 5

Identifiers

CAS number

106-69-4

SMILES

OCCCCC(O)CO

InChIKey

ZWVMLYRJXORSEP-UHFFFAOYSA-N

InChI

InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2

Weigh it out

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

Names and synonyms

3 names

1,2,6-Trihydroxyhexane
(±)-1,2,6-Hexanetriol
NSC 404957

Work with 1,2,6-Hexanetriol

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

1,2,4-Butanetriol3068-00-667 % similar (-)-1,2,4-Butanetriol42890-76-667 % similar (2R)-1,2,4-Butanetriol70005-88-867 % similar 1,2-Octanediol1117-86-858 % similar 1,2-Decanediol1119-86-458 % similar 1,2-Dodecanediol1119-87-558 % similar 1,2-Tetradecanediol21129-09-958 % similar 1,2-Hexadecanediol6920-24-758 % similar

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

Same formula

Bis(2-hydroxypropyl) ether110-98-5 2-(2-Ethoxyethoxy)ethanol111-90-0 Diglyme111-96-6 1,1,3-Trimethoxypropane14315-97-0 1,1,1-Trimethoxypropane24823-81-2 2,2-Diethoxyethanol621-63-6 Trimethylolpropane77-99-6

Elsewhere

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