chempirical

3-Methoxyoxan-4-one

C6H10O3CAS 624734-17-4130.14 g/mol

Open in Covalent MOL file
OOO
EtherKetone

Properties

Molecular formula
C6H10O3
Molar mass
130.14 g/mol
Exact mass
130.0630 Da
logP
-0.01Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
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
624734-17-4
SMILES
COC1COCCC1=O
InChIKey
YMJJPBWCARDMCG-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O3/c1-8-6-4-9-3-2-5(6)7/h6H,2-4H2,1H3

Weigh it out

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Names and synonyms

1 names
  • 3-Methoxy-tetrahydropyran-4-one

Work with 3-Methoxyoxan-4-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

(S)-2-Methoxycyclohexanone155320-76-652 % similar Coffee furanone3188-00-938 % similar 2-Methyl-3-hexanone7379-12-634 % similar Methyl 4-methyl-3-oxopentanoate42558-54-334 % similar Methyl 4,4-dimethoxyacetylacetate60705-25-134 % similar 1,1-Dimethoxy-2-(2-methoxyethoxy)ethane94158-44-833 % similar 3-Methoxy-2-piperidone25219-59-432 % similar 2-(2-Aminoethoxy)-1,1-dimethoxyethane1228258-40-932 % similar

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

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl 4-hydroxycrotonate10080-68-9 Ethyl 2-[(2S)-oxiran-2-yl]acetate112083-63-3 Propionic anhydride123-62-6 3-(2-Propyn-1-yloxy)-1,2-propanediol13580-38-6 2-Hydroxyadipaldehyde141-31-1 Ethyl acetoacetate141-97-9 (±)-3-Methyl-2-oxovaleric acid1460-34-0

Elsewhere

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