cyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane

C24H22Si — CID 21188975

IUPACcyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane
SMILESCc1cccc([Si](C2=CC=CC2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H22Si/c1-20-11-10-18-24(19-20)25(23-16-8-9-17-23,21-12-4-2-5-13-21)22-14-6-3-7-15-22/h2-16,18-19H,17H2,1H3
InChIKeyYAONBEGVVZVSCF-UHFFFAOYSA-N
MW338.53 g/mol
LogP3.89
Rot. Bonds4

About cyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane

cyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane (PubChem CID 21188975) has the molecular formula C24H22Si and a molecular weight of 338.53 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane
PubChem CID21188975
Molecular FormulaC24H22Si
Molecular Weight338.53 g/mol
Exact Mass338.15
IUPAC Namecyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane
SMILESCc1cccc([Si](C2=CC=CC2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H22Si/c1-20-11-10-18-24(19-20)25(23-16-8-9-17-23,21-12-4-2-5-13-21)22-14-6-3-7-15-22/h2-16,18-19H,17H2,1H3
InChIKeyYAONBEGVVZVSCF-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.53
LogP ≤ 53.89
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 cyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane?
The IUPAC name of cyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane (CID 21188975) is cyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane?
The canonical SMILES for cyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane is Cc1cccc([Si](C2=CC=CC2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of cyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane?
The InChIKey is YAONBEGVVZVSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Si/c1-20-11-10-18-24(19-20)25(23-16-8-9-17-23,21-12-4-2-5-13-21)22-14-6-3-7-15-22/h2-16,18-19H,17H2,1H3.
What are the key properties of cyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane?
cyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane has a molecular weight of 338.53 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl-(3-methylphenyl)-diphenylsilane is sourced from PubChem (CID 21188975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).