triethoxy-(4-phenylphenyl)silane

C18H24O3Si — CID 54002159

IUPACtriethoxy-(4-phenylphenyl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24O3Si/c1-4-19-22(20-5-2,21-6-3)18-14-12-17(13-15-18)16-10-8-7-9-11-16/h7-15H,4-6H2,1-3H3
InChIKeyKMISPMRSLVRNRI-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.61
Rot. Bonds8

About triethoxy-(4-phenylphenyl)silane

triethoxy-(4-phenylphenyl)silane (PubChem CID 54002159) has the molecular formula C18H24O3Si and a molecular weight of 316.47 g/mol. Its IUPAC name is triethoxy-(4-phenylphenyl)silane.

Molecular Properties

Compound Nametriethoxy-(4-phenylphenyl)silane
PubChem CID54002159
Molecular FormulaC18H24O3Si
Molecular Weight316.47 g/mol
Exact Mass316.15
IUPAC Nametriethoxy-(4-phenylphenyl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24O3Si/c1-4-19-22(20-5-2,21-6-3)18-14-12-17(13-15-18)16-10-8-7-9-11-16/h7-15H,4-6H2,1-3H3
InChIKeyKMISPMRSLVRNRI-UHFFFAOYSA-N
XLogP3.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-phenylphenyl)silane?
The IUPAC name of triethoxy-(4-phenylphenyl)silane (CID 54002159) is triethoxy-(4-phenylphenyl)silane.
What is the SMILES notation for triethoxy-(4-phenylphenyl)silane?
The canonical SMILES for triethoxy-(4-phenylphenyl)silane is CCO[Si](OCC)(OCC)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of triethoxy-(4-phenylphenyl)silane?
The InChIKey is KMISPMRSLVRNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3Si/c1-4-19-22(20-5-2,21-6-3)18-14-12-17(13-15-18)16-10-8-7-9-11-16/h7-15H,4-6H2,1-3H3.
What are the key properties of triethoxy-(4-phenylphenyl)silane?
triethoxy-(4-phenylphenyl)silane has a molecular weight of 316.47 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-(4-phenylphenyl)silane is sourced from PubChem (CID 54002159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).