4-Tert-butyl 1-ethyl 2-(diethoxyphosphoryl)succinate - CAS 77924-28-8
Catalog: |
BB043507 |
Product Name: |
4-Tert-butyl 1-ethyl 2-(diethoxyphosphoryl)succinate |
CAS: |
77924-28-8 |
Synonyms: |
1-Ethyl 4-(tert-Butyl) 2-(diethyl phosphono)succinate; SCHEMBL1984906; 1-Ethyl-4-tert-butyl-2-diethylphosphonosuccinate; Butanedioic acid 2-(diethoxyphosphoryl)-1-ethyl-4-tertbutyl ester |
IUPAC Name: | 4-O-tert-butyl 1-O-ethyl 2-diethoxyphosphorylbutanedioate |
Description: | 4-Tert-butyl 1-ethyl 2-(diethoxyphosphoryl)succinate (CAS# 77924-28-8 ) is a useful research chemical. |
Molecular Weight: | 338.33 |
Molecular Formula: | C14H27O7P |
Canonical SMILES: | CCOC(=O)C(CC(=O)OC(C)(C)C)P(=O)(OCC)OCC |
InChI: | InChI=1S/C14H27O7P/c1-7-18-13(16)11(10-12(15)21-14(4,5)6)22(17,19-8-2)20-9-3/h11H,7-10H2,1-6H3 |
InChI Key: | KDVUGKRGJXYCHD-UHFFFAOYSA-N |
Complexity: | 404 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 338.14944019 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 338.14944019 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 88.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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