chempirical

1-(Tetrahydro-2H-pyran-4-yl)ethanone

C7H12O2CAS 137052-08-5128.17 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C7H12O2
Molar mass
128.17 g/mol
Exact mass
128.0837 Da
logP
1.00Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
137052-08-5
SMILES
CC(=O)C1CCOCC1
InChIKey
VNMXIOWPBADSIC-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O2/c1-6(8)7-2-4-9-5-3-7/h7H,2-5H2,1H3

Weigh it out

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

Work with 1-(Tetrahydro-2H-pyran-4-yl)ethanone

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 tetrahydropyran-4-carboxylate110238-91-050 % similar 2-Acetylbutyrolactone517-23-743 % similar 1-tert-Butoxycarbonyl-4-acetylpiperidine206989-61-942 % similar 3-Ethyl-2,4-pentanedione1540-34-737 % similar Pyruvic aldehyde dimethyl acetal6342-56-937 % similar 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-936 % similar Diisoamyl ether544-01-436 % similar 3-Methyl-2,4-pentanedione815-57-636 % similar

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

Same formula

3,3-Diethoxy-1-propyne10160-87-9 2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 γ-Heptalactone105-21-5 Isobutyl acrylate106-63-8 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7

Elsewhere

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