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

C₅H₆O₃CAS 37830-90-3114.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₆O₃
Molar mass: 114.10 g/mol
Exact mass: 114.0317 Da
logP: 0.85Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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