2,5-Dimethylfuran

C₆H₈OCAS 625-86-596.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈O
Molar mass: 96.13 g/mol
Exact mass: 96.0575 Da
Density: 0.9 g/mL (at 20 °C)
Melting point: −62.8 °C
Boiling point: 93.5 °C
logP: 1.90Crippen estimate
Polar surface area: 13.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

625-86-5

SMILES

Cc1ccc(C)o1

InChIKey

GSNUFIFRDBKVIE-UHFFFAOYSA-N

InChI

InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

3 names

Furan, 2,5-dimethyl-
NSC 6220
2-Methyl-5-methylfuran

Work with 2,5-Dimethylfuran

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

2-Methyl-5-(methylthio)furan13678-59-652 % similar 5-Methyl-2-furanmethanol3857-25-850 % similar 5-Methylfurfural620-02-050 % similar 2-Acetyl-5-methylfuran1193-79-946 % similar 2,6-Dimethyl-γ-pyrone1004-36-045 % similar 1-(5-Methyl-2-furanyl)-1-propanone10599-69-641 % similar Methyl 5-methyl-2-furancarboxylate2527-96-041 % similar 2-Methylfuran534-22-540 % similar

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

Same formula

3-Methyl-2-penten-4-yn-1-ol105-29-3 Sorbaldehyde142-83-6 3-Methyl-2-cyclopenten-1-one2758-18-1 2-Ethylfuran3208-16-0 3-Methyl-1-penten-4-yn-3-ol3230-69-1 (2Z)-3-Methyl-2-penten-4-yn-1-ol6153-05-5 Cyclohexenone930-68-7

Elsewhere

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