tert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane

C38H48O2Si2 — CID 158651583

IUPACtert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H48O2Si2/c1-36(2,3)41(32-20-11-7-12-21-32,33-22-13-8-14-23-33)39-30-38(28-19-29-38)31-40-42(37(4,5)6,34-24-15-9-16-25-34)35-26-17-10-18-27-35/h7-18,20-27H,19,28-31H2,1-6H3
InChIKeyIBPTWORQIKYDIV-UHFFFAOYSA-N
MW592.97 g/mol
LogP7.31
Rot. Bonds10

About tert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane

tert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane (PubChem CID 158651583) has the molecular formula C38H48O2Si2 and a molecular weight of 592.97 g/mol. Its IUPAC name is tert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane
PubChem CID158651583
Molecular FormulaC38H48O2Si2
Molecular Weight592.97 g/mol
Exact Mass592.32
IUPAC Nametert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H48O2Si2/c1-36(2,3)41(32-20-11-7-12-21-32,33-22-13-8-14-23-33)39-30-38(28-19-29-38)31-40-42(37(4,5)6,34-24-15-9-16-25-34)35-26-17-10-18-27-35/h7-18,20-27H,19,28-31H2,1-6H3
InChIKeyIBPTWORQIKYDIV-UHFFFAOYSA-N
XLogP7.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.97
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane (CID 158651583) is tert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane is CC(C)(C)[Si](OCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane?
The InChIKey is IBPTWORQIKYDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48O2Si2/c1-36(2,3)41(32-20-11-7-12-21-32,33-22-13-8-14-23-33)39-30-38(28-19-29-38)31-40-42(37(4,5)6,34-24-15-9-16-25-34)35-26-17-10-18-27-35/h7-18,20-27H,19,28-31H2,1-6H3.
What are the key properties of tert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane?
tert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane has a molecular weight of 592.97 g/mol, XLogP of 7.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy]-diphenylsilane is sourced from PubChem (CID 158651583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).