2,2-Diethyl 4-Methyl Pentane-2,2,4-tricarboxylate - CAS 342806-74-0
Catalog: |
BB022041 |
Product Name: |
2,2-Diethyl 4-Methyl Pentane-2,2,4-tricarboxylate |
CAS: |
342806-74-0 |
Synonyms: |
1-methylbutane-1,1,3-tricarboxylic acid O1,O1-diethyl ester O3-methyl ester; 1-O,1-O-diethyl 3-O-methyl 1-methylbutane-1,1,3-tricarboxylate |
IUPAC Name: | 1-O,1-O-diethyl 3-O-methyl 1-methylbutane-1,1,3-tricarboxylate |
Description: | 2,2-Diethyl 4-Methyl Pentane-2,2,4-tricarboxylate (CAS# 342806-74-0 ) is a useful research chemical. |
Molecular Weight: | 274.31 |
Molecular Formula: | C13H22O6 |
Canonical SMILES: | CCOC(=O)C(C)(CC(C)C(=O)OC)C(=O)OCC |
InChI: | InChI=1S/C13H22O6/c1-6-18-11(15)13(4,12(16)19-7-2)8-9(3)10(14)17-5/h9H,6-8H2,1-5H3 |
InChI Key: | GTIGOFWFOXMYET-UHFFFAOYSA-N |
LogP: | 1.31810 |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.14163842 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.14163842 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 78.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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