2-(1-Methylethyl)-2-propylpropanedioic Acid 1,3-Diethyl Ester - CAS 62391-98-4
Catalog: |
BB059716 |
Product Name: |
2-(1-Methylethyl)-2-propylpropanedioic Acid 1,3-Diethyl Ester |
CAS: |
62391-98-4 |
Synonyms: |
Diethyl 2-propan-2-yl-2-propylpropanedioate; Diethyl 2-isopropyl-2-propyl-propanedioate; 2-Isopropyl-2-propylpropanedioic Acid Diethyl Ester; 2-Isopropyl-2-propyl-malonic Acid Diethyl Ester; Diethyl 2-propan-2-yl-2-propyl-propanedioate; Propanedioic Acid, (1-methylethyl)propyl-, diethyl Ester; Diethyl 2-isopropyl-2-propylmalonate |
IUPAC Name: | diethyl 2-propan-2-yl-2-propylpropanedioate |
Description: | Propanedioic acid, 2-(1-methylethyl)-2-propyl-, 1,3-diethyl ester is used in the cyclization of appropriate reactants.Intermediate in barbiturate products. |
Molecular Weight: | 244.33 |
Molecular Formula: | C13H24O4 |
Canonical SMILES: | CCCC(C(C)C)(C(=O)OCC)C(=O)OCC |
InChI: | InChI=1S/C13H24O4/c1-6-9-13(10(4)5,11(14)16-7-2)12(15)17-8-3/h10H,6-9H2,1-5H3 |
InChI Key: | OFOXHBRNNXYCMV-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Clear Colourless Oil |
Storage: | Refrigerator |
References: | Chumachenko, T. K., et al. Deposited Doc. 9 (1980). |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.16745924 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.16745924 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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