4-[[[(1,1-Dimethylethyl)diphenylsilyl]oxy]methyl]-2,2-dimethyl-1,3-dioxolane - CAS 118215-60-4
Catalog: |
BB068746 |
Product Name: |
4-[[[(1,1-Dimethylethyl)diphenylsilyl]oxy]methyl]-2,2-dimethyl-1,3-dioxolane |
CAS: |
118215-60-4 |
Synonyms: |
tert-Butyl((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)diphenylsilane; tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-diphenylsilane; TERT-BUTYL-(2,2-DIMETHYL-(1,3)DIOXOLAN-4-YLMETHOXY)-DIPHENYL-SILANE |
IUPAC Name: | tert-butyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-diphenylsilane |
Description: | 4-[[[(1,1-Dimethylethyl)diphenylsilyl]oxy]methyl]-2,2-dimethyl-1,3-dioxolane is an intermediate in the synthesis of 1,2-Dioleoyl-rac-glycerol (D482175), which is an analog of 1,3-Dioleoylglycerol (D484210) which is used in the synthesis of amphiphilic gadolinium complexes as MRI contrast agents. |
Molecular Weight: | 370.56 |
Molecular Formula: | C22H30O3Si |
Canonical SMILES: | CC1(OCC(O1)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C |
InChI: | InChI=1S/C22H30O3Si/c1-21(2,3)26(19-12-8-6-9-13-19,20-14-10-7-11-15-20)24-17-18-16-23-22(4,5)25-18/h6-15,18H,16-17H2,1-5H3 |
InChI Key: | IIEWCDRPCONQME-UHFFFAOYSA-N |
References: | Accardo, A., et. al. J. Mater. Chem. B., 1, 617 (2013). |
Complexity: | 427 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 370.19642135 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 370.19642135 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 27.7Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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