chempirical

Tetrahydro-3-furancarboxaldehyde

C5H8O2CAS 79710-86-4100.12 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C5H8O2
Molar mass
100.12 g/mol
Exact mass
100.0524 Da
logP
0.22Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
79710-86-4
SMILES
O=CC1CCOC1
InChIKey
GSUBXIVOZXWGKF-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O2/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2

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Names and synonyms

3 names
  • 3-Furancarboxaldehyde, tetrahydro-
  • 3-Furaldehyde, tetrahydro-
  • (±)-Tetrahydrofuran-3-carboxaldehyde

Work with Tetrahydro-3-furancarboxaldehyde

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

Tetrahydro-2H-pyran-4-carboxaldehyde50675-18-871 % similar Cyclobutanecarboxaldehyde2987-17-943 % similar Cyclohexanecarboxaldehyde2043-61-042 % similar Cyclooctanecarboxaldehyde6688-11-542 % similar 2-Ethylhexanal123-05-737 % similar Glycidaldehyde765-34-436 % similar 2-Ethylbutanal97-96-136 % similar Tetrahydrobenzaldehyde100-50-536 % similar

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

Same formula

Vinyl propionate105-38-4 Isopropenyl acetate108-22-5 Gamma-valerolactone108-29-2 Glutaraldehyde111-30-8 Acetylacetone123-54-6 trans-2-Pentenoic acid13991-37-2 Ethyl acrylate140-88-5 Methyl cyclopropanecarboxylate2868-37-3

Elsewhere

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