Tri(O-tolyl)silane

C21H21Si — CID 6378790

IUPAC—
SMILESCc1ccccc1[Si](c1ccccc1C)c1ccccc1C
InChIInChI=1S/C21H21Si/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKeyQVHFFTSYRWXNAI-UHFFFAOYSA-N
MW301.49 g/mol
LogP3.13
Rot. Bonds3

About Tri(O-tolyl)silane

Tri(O-tolyl)silane (PubChem CID 6378790) has the molecular formula C21H21Si and a molecular weight of 301.49 g/mol.

Molecular Properties

Compound NameTri(O-tolyl)silane
PubChem CID6378790
Molecular FormulaC21H21Si
Molecular Weight301.49 g/mol
Exact Mass301.14
IUPAC Name—
SMILESCc1ccccc1[Si](c1ccccc1C)c1ccccc1C
InChIInChI=1S/C21H21Si/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKeyQVHFFTSYRWXNAI-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.49
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Tri(O-tolyl)silane?
The IUPAC name of Tri(O-tolyl)silane (CID 6378790) is not available.
What is the SMILES notation for Tri(O-tolyl)silane?
The canonical SMILES for Tri(O-tolyl)silane is Cc1ccccc1[Si](c1ccccc1C)c1ccccc1C.
What is the InChIKey of Tri(O-tolyl)silane?
The InChIKey is QVHFFTSYRWXNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Si/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15H,1-3H3.
What are the key properties of Tri(O-tolyl)silane?
Tri(O-tolyl)silane has a molecular weight of 301.49 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Tri(O-tolyl)silane is sourced from PubChem (CID 6378790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).