1,1'-biphenyl;1,1,2-triethoxysilinane

C23H34O3Si — CID 175295095

IUPAC1,1'-biphenyl;1,1,2-triethoxysilinane
SMILESCCOC1CCCC[Si]1(OCC)OCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C11H24O3Si/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-12-11-9-7-8-10-15(11,13-5-2)14-6-3/h1-10H;11H,4-10H2,1-3H3
InChIKeyYORVDNGHODKFPG-UHFFFAOYSA-N
MW386.61 g/mol
LogP5.98
Rot. Bonds7

About 1,1'-biphenyl;1,1,2-triethoxysilinane

1,1'-biphenyl;1,1,2-triethoxysilinane (PubChem CID 175295095) has the molecular formula C23H34O3Si and a molecular weight of 386.61 g/mol. Its IUPAC name is 1,1'-biphenyl;1,1,2-triethoxysilinane.

Molecular Properties

Compound Name1,1'-biphenyl;1,1,2-triethoxysilinane
PubChem CID175295095
Molecular FormulaC23H34O3Si
Molecular Weight386.61 g/mol
Exact Mass386.23
IUPAC Name1,1'-biphenyl;1,1,2-triethoxysilinane
SMILESCCOC1CCCC[Si]1(OCC)OCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C11H24O3Si/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-12-11-9-7-8-10-15(11,13-5-2)14-6-3/h1-10H;11H,4-10H2,1-3H3
InChIKeyYORVDNGHODKFPG-UHFFFAOYSA-N
XLogP5.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.61
LogP ≤ 55.98
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 1,1'-biphenyl;1,1,2-triethoxysilinane?
The IUPAC name of 1,1'-biphenyl;1,1,2-triethoxysilinane (CID 175295095) is 1,1'-biphenyl;1,1,2-triethoxysilinane.
What is the SMILES notation for 1,1'-biphenyl;1,1,2-triethoxysilinane?
The canonical SMILES for 1,1'-biphenyl;1,1,2-triethoxysilinane is CCOC1CCCC[Si]1(OCC)OCC.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1,1,2-triethoxysilinane?
The InChIKey is YORVDNGHODKFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C11H24O3Si/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-12-11-9-7-8-10-15(11,13-5-2)14-6-3/h1-10H;11H,4-10H2,1-3H3.
What are the key properties of 1,1'-biphenyl;1,1,2-triethoxysilinane?
1,1'-biphenyl;1,1,2-triethoxysilinane has a molecular weight of 386.61 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1,1,2-triethoxysilinane is sourced from PubChem (CID 175295095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).