chempirical

4,5-Dimethyl-1,3-dioxol-2-one

C5H6O3CAS 37830-90-3114.10 g/mol

Open in Covalent MOL file
OOO

Properties

Molecular formula
C5H6O3
Molar mass
114.10 g/mol
Exact mass
114.0317 Da
logP
0.85Crippen estimate
Polar surface area
43.4 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
37830-90-3
SMILES
CC1=C(OC(=O)O1)C
InChIKey
QYIOFABFKUOIBV-UHFFFAOYSA-N
InChI
InChI=1S/C5H6O3/c1-3-4(2)8-5(6)7-3/h1-2H3

Weigh it out

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

Work with 4,5-Dimethyl-1,3-dioxol-2-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

4-(Chloromethyl)-5-methyl-1,3-dioxol-2-one80841-78-757 % similar 4-(Bromomethyl)-5-methyl-1,3-dioxol-2-one80715-22-654 % similar Pyrocatechol carbonate2171-74-636 % similar 4,5-Diphenyl-1,3-dioxol-2-one21240-34-632 % similar 2,6-Dimethyl-3,5-diphenyl-4H-pyran-4-one33731-54-331 % similar Vinylene carbonate872-36-630 % similar

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

Same formula

Glutaric anhydride108-55-4 4-Hydroxy-5-methyl-3(2H)-furanone19322-27-1 3-Oxocyclobutanecarboxylic acid23761-23-1 Methyl 4-hydroxybut-2-ynoate31555-05-2 5-Hydroxy-4-methyl-2(5H)-furanone40834-42-2 Methylsuccinic anhydride4100-80-5 Vinylethylene carbonate4427-96-7 Pyran-3,5-dione61363-56-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook