chempirical

1-(Oxolan-2-yl)ethan-1-one

C6H10O2CAS 25252-64-6114.14 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C6H10O2
Molar mass
114.14 g/mol
Exact mass
114.0681 Da
logP
0.75Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
25252-64-6
SMILES
CC(=O)C1CCCO1
InChIKey
KWBQKUZVJVKXHI-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c1-5(7)6-3-2-4-8-6/h6H,2-4H2,1H3

Weigh it out

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Names and synonyms

1 names
  • Ethanone, 1-(tetrahydro-2-furanyl)-

Work with 1-(Oxolan-2-yl)ethan-1-one

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

Methyl tetrahydro-2-furancarboxylate37443-42-853 % similar Tetrahydro-2-furoic acid16874-33-252 % similar (R)-(+)-2-Tetrahydrofuroic acid87392-05-052 % similar (2S)-Tetrahydro-2-furancarboxylic acid87392-07-252 % similar Ethyl tetrahydrofuroate16874-34-350 % similar Tetrahydropyran-2-carboxylic acid51673-83-745 % similar 1-(Tetrahydro-2H-pyran-4-yl)ethanone137052-08-545 % similar Cyclopentyl methyl ketone6004-60-044 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 Beta-Methyl-delta-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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