tert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane

C44H74O4SSi — CID 67391522

IUPACtert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane
SMILESCC(C)(C)SCCCCCCCCCCCCCCCCOC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C44H74O4SSi/c1-43(2,3)49-36-28-18-16-14-12-10-8-7-9-11-13-15-17-26-34-45-37-39(48-42-33-25-27-35-46-42)38-47-50(44(4,5)6,40-29-21-19-22-30-40)41-31-23-20-24-32-41/h19-24,29-32,39,42H,7-18,25-28,33-38H2,1-6H3/t39-,42?/m1/s1
InChIKeyGIVMNFVSDYCRMY-SJGWSWOZSA-N
MW727.22 g/mol
LogP11.48
Rot. Bonds26

About tert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane

tert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane (PubChem CID 67391522) has the molecular formula C44H74O4SSi and a molecular weight of 727.22 g/mol. Its IUPAC name is tert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane
PubChem CID67391522
Molecular FormulaC44H74O4SSi
Molecular Weight727.22 g/mol
Exact Mass726.51
IUPAC Nametert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane
SMILESCC(C)(C)SCCCCCCCCCCCCCCCCOC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C44H74O4SSi/c1-43(2,3)49-36-28-18-16-14-12-10-8-7-9-11-13-15-17-26-34-45-37-39(48-42-33-25-27-35-46-42)38-47-50(44(4,5)6,40-29-21-19-22-30-40)41-31-23-20-24-32-41/h19-24,29-32,39,42H,7-18,25-28,33-38H2,1-6H3/t39-,42?/m1/s1
InChIKeyGIVMNFVSDYCRMY-SJGWSWOZSA-N
XLogP11.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.22
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane (CID 67391522) is tert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane is CC(C)(C)SCCCCCCCCCCCCCCCCOC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC1CCCCO1.
What is the InChIKey of tert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane?
The InChIKey is GIVMNFVSDYCRMY-SJGWSWOZSA-N. The full InChI is InChI=1S/C44H74O4SSi/c1-43(2,3)49-36-28-18-16-14-12-10-8-7-9-11-13-15-17-26-34-45-37-39(48-42-33-25-27-35-46-42)38-47-50(44(4,5)6,40-29-21-19-22-30-40)41-31-23-20-24-32-41/h19-24,29-32,39,42H,7-18,25-28,33-38H2,1-6H3/t39-,42?/m1/s1.
What are the key properties of tert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane?
tert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane has a molecular weight of 727.22 g/mol, XLogP of 11.48, 26 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-3-(16-tert-butylsulfanylhexadecoxy)-2-(oxan-2-yloxy)propoxy]-diphenylsilane is sourced from PubChem (CID 67391522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).