2,5-Bis[hydroxymethyl]tetrahydrofuran

C₆H₁₂O₃CAS 104-80-3132.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂O₃
Molar mass: 132.16 g/mol
Exact mass: 132.0786 Da
Density: 1.1544 g/mL (at 25 °C)
Melting point: below −50 °C
Boiling point: 265 °C
logP: -0.48Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

104-80-3

SMILES

OCC1CCC(CO)O1

InChIKey

YCZZQSFWHFBKMU-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O3/c7-3-5-1-2-6(4-8)9-5/h5-8H,1-4H2

Weigh it out

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

Names and synonyms

9 names

Hexitol, 2,5-anhydro-3,4-dideoxy-
2,5-Furandimethanol, tetrahydro-
2,5-Anhydro-3,4-dideoxyhexitol
Tetrahydro-2,5-furandimethanol
NSC 40741
(Tetrahydrofuran-2,5-diyl)dimethanol
2,5-Dihydroxymethyltetrahydrofuran
2,5-Dihydroxymethyltetrahydrofurane
[5-(Hydroxymethyl)oxolan-2-yl]methanol

Work with 2,5-Bis[hydroxymethyl]tetrahydrofuran

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

Same formula

Solketal100-79-8 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 3-(Allyloxy)-1,2-propanediol123-34-2 Paraldehyde123-63-7 L-Leucic acid13748-90-8 Methyl 3-hydroxy-2,2-dimethylpropanoate14002-80-3

Elsewhere

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