chempirical

Dimethyl isosorbide

C8H14O4CAS 5306-85-4174.20 g/mol

Open in Covalent MOL file
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Ether

Properties

Molecular formula
C8H14O4
Molar mass
174.20 g/mol
Exact mass
174.0892 Da
Density
1.1635 g/mL (at 20 °C)
Melting point
below −50 °C
Boiling point
234 °C
logP
-0.19Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2
Stereocentres
S, R, R, Rin SMILES atom order

Identifiers

CAS number
5306-85-4
SMILES
CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC
InChIKey
MEJYDZQQVZJMPP-ULAWRXDQSA-N
InChI
InChI=1S/C8H14O4/c1-9-5-3-11-8-6(10-2)4-12-7(5)8/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1

Weigh it out

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

Names and synonyms

11 names
  • D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-methyl-
  • Glucitol, 1,4:3,6-dianhydro-2,5-di-O-methyl-, D-
  • Sorbitol, 1,4:3,6-dianhydro-2,5-di-O-methyl-
  • Furo[3,2-b]furan, D-glucitol deriv.
  • 1,4:3,6-Dianhydro-2,5-di-O-methyl-D-glucitol
  • Isosorbide dimethyl ether
  • Arlasolve DMI
  • 2,5-Di-O-methyl-1,4:3,6-dianhydro-D-glucitol
  • NSC 40727
  • NSC 44695
  • Gransolve DMI

Work with Dimethyl isosorbide

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

Diepoxybutane1464-53-539 % similar Rel-(2R,2′R)-2,2′-bioxirane298-18-039 % similar Isosorbide dinitrate87-33-236 % similar 3-Methoxy-azetidine110925-17-235 % similar 1,1,2-Trimethoxyethane24332-20-535 % similar 1,1,3,3-Tetramethoxypropane102-52-333 % similar α-Hydro-ω-hydroxypoly(oxy-1,2-ethanediyl) ether with methyl β-D-glucopyranoside (4:1)68239-42-933 % similar Glycidaldehyde diethyl acetal13269-77-732 % similar

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

Same formula

2,3-Diacetoxybutane1114-92-7 1,3-Butylene glycol diacetate1117-31-3 (E)-Ethyl 4,4-dimethoxybut-2-enoate114736-25-3 Diethyl succinate123-25-1 Mono-tert-butyl succinate15026-17-2 1,4-Bis(2-hydroxyethoxy)-2-butyne1606-85-5 Glycol diglycidyl ether2224-15-9 1-(1,1-Dimethylethyl) 3-methyl propanedioate42726-73-8

Elsewhere

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