triethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane

C24H38O6Si2 — CID 14951443

IUPACtriethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(-c2ccc([Si](OCC)(OCC)OCC)cc2)cc1
InChIInChI=1S/C24H38O6Si2/c1-7-25-31(26-8-2,27-9-3)23-17-13-21(14-18-23)22-15-19-24(20-16-22)32(28-10-4,29-11-5)30-12-6/h13-20H,7-12H2,1-6H3
InChIKeyKENDGHJJHKCUNB-UHFFFAOYSA-N
MW478.73 g/mol
LogP3.86
Rot. Bonds15

About triethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane

triethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane (PubChem CID 14951443) has the molecular formula C24H38O6Si2 and a molecular weight of 478.73 g/mol. Its IUPAC name is triethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane.

Molecular Properties

Compound Nametriethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane
PubChem CID14951443
Molecular FormulaC24H38O6Si2
Molecular Weight478.73 g/mol
Exact Mass478.22
IUPAC Nametriethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(-c2ccc([Si](OCC)(OCC)OCC)cc2)cc1
InChIInChI=1S/C24H38O6Si2/c1-7-25-31(26-8-2,27-9-3)23-17-13-21(14-18-23)22-15-19-24(20-16-22)32(28-10-4,29-11-5)30-12-6/h13-20H,7-12H2,1-6H3
InChIKeyKENDGHJJHKCUNB-UHFFFAOYSA-N
XLogP3.86
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.73
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 triethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane?
The IUPAC name of triethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane (CID 14951443) is triethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane.
What is the SMILES notation for triethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane?
The canonical SMILES for triethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane is CCO[Si](OCC)(OCC)c1ccc(-c2ccc([Si](OCC)(OCC)OCC)cc2)cc1.
What is the InChIKey of triethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane?
The InChIKey is KENDGHJJHKCUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O6Si2/c1-7-25-31(26-8-2,27-9-3)23-17-13-21(14-18-23)22-15-19-24(20-16-22)32(28-10-4,29-11-5)30-12-6/h13-20H,7-12H2,1-6H3.
What are the key properties of triethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane?
triethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane has a molecular weight of 478.73 g/mol, XLogP of 3.86, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[4-(4-triethoxysilylphenyl)phenyl]silane is sourced from PubChem (CID 14951443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).