tert-butyl-diphenyl-(8-trityloxyoctoxy)silane

C43H50O2Si — CID 102242281

IUPACtert-butyl-diphenyl-(8-trityloxyoctoxy)silane
SMILESCC(C)(C)[Si](OCCCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H50O2Si/c1-42(2,3)46(40-31-19-11-20-32-40,41-33-21-12-22-34-41)45-36-24-7-5-4-6-23-35-44-43(37-25-13-8-14-26-37,38-27-15-9-16-28-38)39-29-17-10-18-30-39/h8-22,25-34H,4-7,23-24,35-36H2,1-3H3
InChIKeyGYIWVDBTGKHQKC-UHFFFAOYSA-N
MW626.96 g/mol
LogP9.91
Rot. Bonds16

About tert-butyl-diphenyl-(8-trityloxyoctoxy)silane

tert-butyl-diphenyl-(8-trityloxyoctoxy)silane (PubChem CID 102242281) has the molecular formula C43H50O2Si and a molecular weight of 626.96 g/mol. Its IUPAC name is tert-butyl-diphenyl-(8-trityloxyoctoxy)silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-(8-trityloxyoctoxy)silane
PubChem CID102242281
Molecular FormulaC43H50O2Si
Molecular Weight626.96 g/mol
Exact Mass626.36
IUPAC Nametert-butyl-diphenyl-(8-trityloxyoctoxy)silane
SMILESCC(C)(C)[Si](OCCCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H50O2Si/c1-42(2,3)46(40-31-19-11-20-32-40,41-33-21-12-22-34-41)45-36-24-7-5-4-6-23-35-44-43(37-25-13-8-14-26-37,38-27-15-9-16-28-38)39-29-17-10-18-30-39/h8-22,25-34H,4-7,23-24,35-36H2,1-3H3
InChIKeyGYIWVDBTGKHQKC-UHFFFAOYSA-N
XLogP9.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.96
LogP ≤ 59.91
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-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413
[(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane
CID 59381468
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 165343479
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
tert-butyl-[6-(methoxymethoxy)-6-methylheptoxy]-diphenylsilane
CID 102173957
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-(8-trityloxyoctoxy)silane?
The IUPAC name of tert-butyl-diphenyl-(8-trityloxyoctoxy)silane (CID 102242281) is tert-butyl-diphenyl-(8-trityloxyoctoxy)silane.
What is the SMILES notation for tert-butyl-diphenyl-(8-trityloxyoctoxy)silane?
The canonical SMILES for tert-butyl-diphenyl-(8-trityloxyoctoxy)silane is CC(C)(C)[Si](OCCCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-(8-trityloxyoctoxy)silane?
The InChIKey is GYIWVDBTGKHQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50O2Si/c1-42(2,3)46(40-31-19-11-20-32-40,41-33-21-12-22-34-41)45-36-24-7-5-4-6-23-35-44-43(37-25-13-8-14-26-37,38-27-15-9-16-28-38)39-29-17-10-18-30-39/h8-22,25-34H,4-7,23-24,35-36H2,1-3H3.
What are the key properties of tert-butyl-diphenyl-(8-trityloxyoctoxy)silane?
tert-butyl-diphenyl-(8-trityloxyoctoxy)silane has a molecular weight of 626.96 g/mol, XLogP of 9.91, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-(8-trityloxyoctoxy)silane is sourced from PubChem (CID 102242281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).