tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane

C31H44O2Si2 — CID 102246866

IUPACtert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C31H44O2Si2/c1-30(2,3)34(7,8)33-27-23-21-26(22-24-27)16-15-25-32-35(31(4,5)6,28-17-11-9-12-18-28)29-19-13-10-14-20-29/h9-14,17-24H,15-16,25H2,1-8H3
InChIKeyNFANRYSGJGXTLI-UHFFFAOYSA-N
MW504.86 g/mol
LogP7.58
Rot. Bonds9

About tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane

tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane (PubChem CID 102246866) has the molecular formula C31H44O2Si2 and a molecular weight of 504.86 g/mol. Its IUPAC name is tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
PubChem CID102246866
Molecular FormulaC31H44O2Si2
Molecular Weight504.86 g/mol
Exact Mass504.29
IUPAC Nametert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C31H44O2Si2/c1-30(2,3)34(7,8)33-27-23-21-26(22-24-27)16-15-25-32-35(31(4,5)6,28-17-11-9-12-18-28)29-19-13-10-14-20-29/h9-14,17-24H,15-16,25H2,1-8H3
InChIKeyNFANRYSGJGXTLI-UHFFFAOYSA-N
XLogP7.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.86
LogP ≤ 57.58
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'}

Analyze tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]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

Related Compounds

2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal
CID 22345545
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
CID 102173956
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
3-[4-(bromomethyl)phenyl]propoxy-tert-butyl-diphenylsilane;3-(4-bromophenyl)propanoic acid
CID 162181674
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
tert-butyl-[5-(furan-3-yl)pentoxy]-diphenylsilane
CID 11153578
4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane
CID 69439190
tert-butyl-dimethyl-[2-(4-triphenylsilylphenyl)ethoxy]silane
CID 58097772
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586
tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane
CID 140893830
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane (CID 102246866) is tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane?
The InChIKey is NFANRYSGJGXTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44O2Si2/c1-30(2,3)34(7,8)33-27-23-21-26(22-24-27)16-15-25-32-35(31(4,5)6,28-17-11-9-12-18-28)29-19-13-10-14-20-29/h9-14,17-24H,15-16,25H2,1-8H3.
What are the key properties of tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane?
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane has a molecular weight of 504.86 g/mol, XLogP of 7.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane is sourced from PubChem (CID 102246866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).