tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane

C20H46O2Si2 — CID 146163842

IUPACtert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane
SMILESCCCC(O[Si](C)(C)C(C)(C)C)C(CC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H46O2Si2/c1-13-15-18(22-24(11,12)20(6,7)8)17(14-2)16-21-23(9,10)19(3,4)5/h17-18H,13-16H2,1-12H3
InChIKeyUHGAIZNVZAYFKF-UHFFFAOYSA-N
MW374.76 g/mol
LogP7.22
Rot. Bonds9

About tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane (PubChem CID 146163842) has the molecular formula C20H46O2Si2 and a molecular weight of 374.76 g/mol. Its IUPAC name is tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane
PubChem CID146163842
Molecular FormulaC20H46O2Si2
Molecular Weight374.76 g/mol
Exact Mass374.30
IUPAC Nametert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane
SMILESCCCC(O[Si](C)(C)C(C)(C)C)C(CC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H46O2Si2/c1-13-15-18(22-24(11,12)20(6,7)8)17(14-2)16-21-23(9,10)19(3,4)5/h17-18H,13-16H2,1-12H3
InChIKeyUHGAIZNVZAYFKF-UHFFFAOYSA-N
XLogP7.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.76
LogP ≤ 57.22
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

Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
Silane, dimethyl(3-heptyloxy)isohexyloxy-
CID 91698390
Silane, diethylisohexyloxy(4-methylpent-2-yloxy)-
CID 91698408
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, diethylisohexyloxy(4-octyloxy)-
CID 91698414
Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695
Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)isobutoxy-
CID 91721103
Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)(2-ethylhexyloxy)-
CID 91721108
Silane, dimethyl(dimethyl(2-ethylbutoxy)silyloxy)heptyloxy-
CID 91721165
Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)decyloxy-
CID 91721175
Silane, dimethyl(dimethyl(3-methylpentyloxy)silyloxy)heptyloxy-
CID 91721186
Silane, diethyl(6-ethyloct-3-yloxy)pentyloxy-
CID 91723826

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane (CID 146163842) is tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane is CCCC(O[Si](C)(C)C(C)(C)C)C(CC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane?
The InChIKey is UHGAIZNVZAYFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O2Si2/c1-13-15-18(22-24(11,12)20(6,7)8)17(14-2)16-21-23(9,10)19(3,4)5/h17-18H,13-16H2,1-12H3.
What are the key properties of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane?
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane has a molecular weight of 374.76 g/mol, XLogP of 7.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane is sourced from PubChem (CID 146163842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).