tert-butyl-dimethyl-(6-trityloxyhexoxy)silane

C31H42O2Si — CID 16753413

IUPACtert-butyl-dimethyl-(6-trityloxyhexoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H42O2Si/c1-30(2,3)34(4,5)33-26-18-7-6-17-25-32-31(27-19-11-8-12-20-27,28-21-13-9-14-22-28)29-23-15-10-16-24-29/h8-16,19-24H,6-7,17-18,25-26H2,1-5H3
InChIKeyVSOYCQLYSDYGLR-UHFFFAOYSA-N
MW474.76 g/mol
LogP8.58
Rot. Bonds12

About tert-butyl-dimethyl-(6-trityloxyhexoxy)silane

tert-butyl-dimethyl-(6-trityloxyhexoxy)silane (PubChem CID 16753413) has the molecular formula C31H42O2Si and a molecular weight of 474.76 g/mol. Its IUPAC name is tert-butyl-dimethyl-(6-trityloxyhexoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(6-trityloxyhexoxy)silane
PubChem CID16753413
Molecular FormulaC31H42O2Si
Molecular Weight474.76 g/mol
Exact Mass474.30
IUPAC Nametert-butyl-dimethyl-(6-trityloxyhexoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H42O2Si/c1-30(2,3)34(4,5)33-26-18-7-6-17-25-32-31(27-19-11-8-12-20-27,28-21-13-9-14-22-28)29-23-15-10-16-24-29/h8-16,19-24H,6-7,17-18,25-26H2,1-5H3
InChIKeyVSOYCQLYSDYGLR-UHFFFAOYSA-N
XLogP8.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.76
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-diphenyl-(8-trityloxyoctoxy)silane
CID 102242281
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-diphenylsilane
CID 11293613
tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane
CID 102153241
N-benzyl-5-[tert-butyl(dimethyl)silyl]oxypentan-1-amine
CID 11709316
6-[tert-butyl(dimethyl)silyl]oxyhexyl-iodo-triphenyl-λ5-phosphane
CID 140621382
2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine
CID 171814705
[(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane
CID 59381468
bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol
CID 21185148

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(6-trityloxyhexoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(6-trityloxyhexoxy)silane (CID 16753413) is tert-butyl-dimethyl-(6-trityloxyhexoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(6-trityloxyhexoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(6-trityloxyhexoxy)silane is CC(C)(C)[Si](C)(C)OCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-(6-trityloxyhexoxy)silane?
The InChIKey is VSOYCQLYSDYGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42O2Si/c1-30(2,3)34(4,5)33-26-18-7-6-17-25-32-31(27-19-11-8-12-20-27,28-21-13-9-14-22-28)29-23-15-10-16-24-29/h8-16,19-24H,6-7,17-18,25-26H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(6-trityloxyhexoxy)silane?
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane has a molecular weight of 474.76 g/mol, XLogP of 8.58, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(6-trityloxyhexoxy)silane is sourced from PubChem (CID 16753413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).