1-O-Tert-butyl 4-O-ethyl 2-diethoxyphosphorylbutanedioate - CAS 1536463-77-0
Catalog: |
BB043089 |
Product Name: |
1-O-Tert-butyl 4-O-ethyl 2-diethoxyphosphorylbutanedioate |
CAS: |
1536463-77-0 |
Synonyms: |
Butanedioic acid, 2-(diethoxyphosphoryl)-1-tertbuyl-4-ethyl ester |
IUPAC Name: | 1-O-tert-butyl 4-O-ethyl 2-diethoxyphosphorylbutanedioate |
Description: | 1-O-Tert-butyl 4-O-ethyl 2-diethoxyphosphorylbutanedioate (CAS# 1536463-77-0 ) is a useful research chemical. |
Molecular Weight: | 338.33 |
Molecular Formula: | C14H27O7P |
Canonical SMILES: | CCOC(=O)CC(C(=O)OC(C)(C)C)P(=O)(OCC)OCC |
InChI: | InChI=1S/C14H27O7P/c1-7-18-12(15)10-11(13(16)21-14(4,5)6)22(17,19-8-2)20-9-3/h11H,7-10H2,1-6H3 |
InChI Key: | IQHHGVZLNNXCFI-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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