tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane

C38H50O2Si2 — CID 11467474

IUPACtert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(c1ccc(-c2ccccc2)cc1)C(O[Si](C)(C)C(C)(C)C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C38H50O2Si2/c1-37(2,3)41(7,8)39-35(33-25-21-31(22-26-33)29-17-13-11-14-18-29)36(40-42(9,10)38(4,5)6)34-27-23-32(24-28-34)30-19-15-12-16-20-30/h11-28,35-36H,1-10H3
InChIKeyCGQRDRAGCYTKJN-UHFFFAOYSA-N
MW594.99 g/mol
LogP11.85
Rot. Bonds9

About tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane

tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane (PubChem CID 11467474) has the molecular formula C38H50O2Si2 and a molecular weight of 594.99 g/mol. Its IUPAC name is tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane
PubChem CID11467474
Molecular FormulaC38H50O2Si2
Molecular Weight594.99 g/mol
Exact Mass594.33
IUPAC Nametert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(c1ccc(-c2ccccc2)cc1)C(O[Si](C)(C)C(C)(C)C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C38H50O2Si2/c1-37(2,3)41(7,8)39-35(33-25-21-31(22-26-33)29-17-13-11-14-18-29)36(40-42(9,10)38(4,5)6)34-27-23-32(24-28-34)30-19-15-12-16-20-30/h11-28,35-36H,1-10H3
InChIKeyCGQRDRAGCYTKJN-UHFFFAOYSA-N
XLogP11.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.99
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine
CID 122223185
(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol
CID 11119358
1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
CID 66693822
tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-propylsulfanylethoxy]silane
CID 134929229
1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-phenyl-5-trimethylsilylpent-4-yn-2-ol
CID 10667277
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-2-methyl-1-phenylpentan-3-one
CID 15444578
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate
CID 11596486
methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
CID 101058399
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane (CID 11467474) is tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC(c1ccc(-c2ccccc2)cc1)C(O[Si](C)(C)C(C)(C)C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane?
The InChIKey is CGQRDRAGCYTKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50O2Si2/c1-37(2,3)41(7,8)39-35(33-25-21-31(22-26-33)29-17-13-11-14-18-29)36(40-42(9,10)38(4,5)6)34-27-23-32(24-28-34)30-19-15-12-16-20-30/h11-28,35-36H,1-10H3.
What are the key properties of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane?
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane has a molecular weight of 594.99 g/mol, XLogP of 11.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane is sourced from PubChem (CID 11467474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).