2,5-Dimethyl-3(2H)furanone

C₆H₈O₂CAS 35298-48-7112.13 g/mol

Open in Covalent MOL file

Alkene Ether Ketone

Properties

Molecular formula: C₆H₈O₂
Molar mass: 112.13 g/mol
Exact mass: 112.0524 Da
logP: 0.88Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

35298-48-7

SMILES

CC1(C(=O)C=CO1)C

InChIKey

HVNICCSXGONRCB-UHFFFAOYSA-N

InChI

InChI=1S/C6H8O2/c1-6(2)5(7)3-4-8-6/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

1 names

3(2H)-Furanone, 2,2-dimethyl-

Work with 2,5-Dimethyl-3(2H)furanone

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

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one17129-06-535 % similar (3E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one59938-06-635 % similar (3E)-1,1,1-Trichloro-4-ethoxybut-3-en-2-one83124-74-735 % similar

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

Same formula

3,4-Dihydro-2H-pyran-2-carboxaldehyde100-73-2 Sorbic acid110-44-1 2,5-Dimethyl-3(2H)furanone14400-67-0 Vinyl crotonate14861-06-4 1-Acetoxy-1,3-butadiene1515-76-0 1-Cyclopentene-1-carboxylic acid1560-11-8 3-Methylenecyclobutanecarboxylic acid15760-36-8 Glycidyl propargyl ether18180-30-8

Elsewhere

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