3,4-Diisopropoxy-3-cyclobutene-1,2-dione

C₁₀H₁₄O₄CAS 61699-62-5198.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₄O₄
Molar mass: 198.22 g/mol
Exact mass: 198.0892 Da
logP: 0.86Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

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

61699-62-5

SMILES

CC(C)OC1=C(C(=O)C1=O)OC(C)C

InChIKey

KCZPGGVPQXQGEJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H14O4/c1-5(2)13-9-7(11)8(12)10(9)14-6(3)4/h5-6H,1-4H3

Weigh it out

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Work with 3,4-Diisopropoxy-3-cyclobutene-1,2-dione

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

3,4-Dimethoxy-3-cyclobutene-1,2-dione5222-73-141 % similar 1,4-Diisopropoxybenzene7495-78-539 % similar Diethyl squarate5231-87-836 % similar 4-Isopropoxybenzaldehyde18962-05-532 % similar Dibutyl squarate2892-62-831 % similar 4-(1-Methylethoxy)benzenamine7664-66-631 % similar Diisopropyl ether108-20-330 % similar 1-Bromo-2-(1-methylethoxy)benzene701-07-530 % similar

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

Same formula

1,3-Bis(2-hydroxyethoxy)benzene102-40-9 Hydroquinone bis(2-hydroxyethyl) ether104-38-1 1,4-Butylene glycol diacrylate1070-70-8 4-Butyroxy-2,5-dimethyl-3(2H)-furanone114099-96-6 (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid13429-83-9 Polyethylene glycol dimethacrylate25852-47-5 3,4,5-Trimethoxybenzyl alcohol3840-31-1 2,3,4-Trimethoxy-6-methylphenol39068-88-7

Elsewhere

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