chempirical

Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate

C14H24O6CAS 115118-68-8288.34 g/mol

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Properties

Molecular formula
C14H24O6
Molar mass
288.34 g/mol
Exact mass
288.1573 Da
logP
1.66Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
6

Identifiers

CAS number
115118-68-8
SMILES
CC(C)OC(=O)C1(CC(C1)(OC)OC)C(=O)OC(C)C
InChIKey
SZJMXTBKYMLPTJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H24O6/c1-9(2)19-11(15)13(12(16)20-10(3)4)7-14(8-13,17-5)18-6/h9-10H,7-8H2,1-6H3

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Names and synonyms

1 names
  • 1,1-Bis(propan-2-yl) 3,3-dimethoxycyclobutane-1,1-dicarboxylate

Work with Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate

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

Isopropyl trifluoroacetate400-38-445 % similar 1-Methylethyl 2-bromo-2-methylpropanoate51368-55-943 % similar Diisopropyl malonate13195-64-736 % similar Bromopropylate18181-80-136 % similar Diisopropyl succinate924-88-936 % similar Isopropyl propionate637-78-534 % similar Diisopropyl adipate6938-94-934 % similar Isopropyl chloroacetate105-48-633 % similar

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

Elsewhere

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