3,5-Bis(tert-butyldimethylsiloxyl)benzoic Acid Methyl Ester - CAS 103929-83-5

Catalog:	BB073159
Product Name:	3,5-Bis(tert-butyldimethylsiloxyl)benzoic Acid Methyl Ester
CAS:	103929-83-5
Synonyms:	3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]benzoic Acid Methyl Ester; Methyl 3,5-Bis(tert-butyldimethylsiloxyl) Benzoate

Technical Data

IUPAC Name:	methyl 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]benzoate
Description:	Protected 3,5-Dihydroxybenzoic Acid Methyl Ester (D451715), with potential antifeedant activity for pine weevil, Hylobius abietis.
Molecular Weight:	396.67
Molecular Formula:	C20H36O4Si2
Canonical SMILES:	CC(C)(C)[Si](C)(C)OC1=CC(=CC(=C1)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChI:	InChI=1S/C20H36O4Si2/c1-19(2,3)25(8,9)23-16-12-15(18(21)22-7)13-17(14-16)24-26(10,11)20(4,5)6/h12-14H,1-11H3
InChI Key:	ODCVCBLUFQCUHW-UHFFFAOYSA-N
Solubility:	Ethyl Acetate, Hexanes
Appearance:	Yellow Oil
Storage:	Refrigerator
References:	Sunnerheim, K. et al. J. Agric. Food Chem., 55, 9365 (2007); Tung, Y.-T. et al. Biores. Technol., 98, 1120 (2007).

Complexity:	453
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	396.21521269
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	396.21521269
Rotatable Bond Count:	8
Topological Polar Surface Area:	44.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0