(4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane

C22H22Si — CID 101122697

IUPAC(4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane
SMILESC/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C22H22Si/c1-3-18-23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)22-16-14-19(2)15-17-22/h3-18H,1-2H3/b18-3+
InChIKeyMJWQTLDEMFGSNH-JFQJCAQQSA-N
MW314.50 g/mol
LogP3.58
Rot. Bonds4

About (4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane

(4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane (PubChem CID 101122697) has the molecular formula C22H22Si and a molecular weight of 314.50 g/mol. Its IUPAC name is (4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane.

Molecular Properties

Compound Name(4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane
PubChem CID101122697
Molecular FormulaC22H22Si
Molecular Weight314.50 g/mol
Exact Mass314.15
IUPAC Name(4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane
SMILESC/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C22H22Si/c1-3-18-23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)22-16-14-19(2)15-17-22/h3-18H,1-2H3/b18-3+
InChIKeyMJWQTLDEMFGSNH-JFQJCAQQSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.58
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 (4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane?
The IUPAC name of (4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane (CID 101122697) is (4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane.
What is the SMILES notation for (4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane?
The canonical SMILES for (4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane is C/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane?
The InChIKey is MJWQTLDEMFGSNH-JFQJCAQQSA-N. The full InChI is InChI=1S/C22H22Si/c1-3-18-23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)22-16-14-19(2)15-17-22/h3-18H,1-2H3/b18-3+.
What are the key properties of (4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane?
(4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane has a molecular weight of 314.50 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane is sourced from PubChem (CID 101122697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).