tert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane

C36H46O4Si2 — CID 66772916

IUPACtert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane
SMILESCC(C)(C)[Si](CCCC[Si](Oc1ccccc1)(Oc1ccccc1)C(C)(C)C)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C36H46O4Si2/c1-35(2,3)41(37-31-21-11-7-12-22-31,38-32-23-13-8-14-24-32)29-19-20-30-42(36(4,5)6,39-33-25-15-9-16-26-33)40-34-27-17-10-18-28-34/h7-18,21-28H,19-20,29-30H2,1-6H3
InChIKeyHEOVGJPLALOJBS-UHFFFAOYSA-N
MW598.93 g/mol
LogP10.57
Rot. Bonds13

About tert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane

tert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane (PubChem CID 66772916) has the molecular formula C36H46O4Si2 and a molecular weight of 598.93 g/mol. Its IUPAC name is tert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane.

Molecular Properties

Compound Nametert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane
PubChem CID66772916
Molecular FormulaC36H46O4Si2
Molecular Weight598.93 g/mol
Exact Mass598.29
IUPAC Nametert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane
SMILESCC(C)(C)[Si](CCCC[Si](Oc1ccccc1)(Oc1ccccc1)C(C)(C)C)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C36H46O4Si2/c1-35(2,3)41(37-31-21-11-7-12-22-31,38-32-23-13-8-14-24-32)29-19-20-30-42(36(4,5)6,39-33-25-15-9-16-26-33)40-34-27-17-10-18-28-34/h7-18,21-28H,19-20,29-30H2,1-6H3
InChIKeyHEOVGJPLALOJBS-UHFFFAOYSA-N
XLogP10.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.93
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane 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-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane?
The IUPAC name of tert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane (CID 66772916) is tert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane.
What is the SMILES notation for tert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane?
The canonical SMILES for tert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane is CC(C)(C)[Si](CCCC[Si](Oc1ccccc1)(Oc1ccccc1)C(C)(C)C)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of tert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane?
The InChIKey is HEOVGJPLALOJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46O4Si2/c1-35(2,3)41(37-31-21-11-7-12-22-31,38-32-23-13-8-14-24-32)29-19-20-30-42(36(4,5)6,39-33-25-15-9-16-26-33)40-34-27-17-10-18-28-34/h7-18,21-28H,19-20,29-30H2,1-6H3.
What are the key properties of tert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane?
tert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane has a molecular weight of 598.93 g/mol, XLogP of 10.57, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[tert-butyl(diphenoxy)silyl]butyl]-diphenoxysilane is sourced from PubChem (CID 66772916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).