chempirical

2,2-Dimethyl-1,3-dioxan-5-one

C6H10O3CAS 74181-34-3130.14 g/mol

Open in Covalent MOL file
OOO
AcetalEtherKetone

Properties

Molecular formula
C6H10O3
Molar mass
130.14 g/mol
Exact mass
130.0630 Da
logP
0.34Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
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
74181-34-3
SMILES
CC1(OCC(=O)CO1)C
InChIKey
ASFQDNDZFGFMMP-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O3/c1-6(2)8-3-5(7)4-9-6/h3-4H2,1-2H3

Weigh it out

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Work with 2,2-Dimethyl-1,3-dioxan-5-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

2,2-Dimethyl-1,3-dioxolane2916-31-643 % similar 3-Oxetanone6704-31-043 % similar 2,2-Diethoxypropane126-84-139 % similar 2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one1197-66-638 % similar Meldrum's acid2033-24-138 % similar 1,3-Diacetoxyacetone6946-10-738 % similar 2,2-Dimethyltetrahydropyran-4-one1194-16-738 % similar cis-Tetrahydro-3a,6a-dimethyl-2,5(1H,3H)-pentalenedione21170-10-538 % 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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