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

C₁₄H₂₄O₆CAS 115118-68-8288.34 g/mol

Open in Covalent MOL file

Acetal Ester Ether

Properties

Molecular formula: C₁₄H₂₄O₆
Molar mass: 288.34 g/mol
Exact mass: 288.1573 Da
logP: 1.66Crippen estimate
Polar surface area: 71.1 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 6

Hazards

Warning

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

Aggregated from the 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

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 Diisopropyl carbonate6482-34-435 % similar Isopropyl propionate637-78-534 % similar Diisopropyl adipate6938-94-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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