(3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane

C25H24Si — CID 123595310

IUPAC(3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane
SMILESCC1=CCC([Si](c2ccccc2)(c2ccccc2)c2ccc(C)cc2)=C1
InChIInChI=1S/C25H24Si/c1-20-13-16-24(17-14-20)26(22-9-5-3-6-10-22,23-11-7-4-8-12-23)25-18-15-21(2)19-25/h3-17,19H,18H2,1-2H3
InChIKeyKSYAAFXUKBZKCR-UHFFFAOYSA-N
MW352.55 g/mol
LogP4.28
Rot. Bonds4

About (3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane

(3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane (PubChem CID 123595310) has the molecular formula C25H24Si and a molecular weight of 352.55 g/mol. Its IUPAC name is (3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane.

Molecular Properties

Compound Name(3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane
PubChem CID123595310
Molecular FormulaC25H24Si
Molecular Weight352.55 g/mol
Exact Mass352.16
IUPAC Name(3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane
SMILESCC1=CCC([Si](c2ccccc2)(c2ccccc2)c2ccc(C)cc2)=C1
InChIInChI=1S/C25H24Si/c1-20-13-16-24(17-14-20)26(22-9-5-3-6-10-22,23-11-7-4-8-12-23)25-18-15-21(2)19-25/h3-17,19H,18H2,1-2H3
InChIKeyKSYAAFXUKBZKCR-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.28
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 (3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane?
The IUPAC name of (3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane (CID 123595310) is (3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane.
What is the SMILES notation for (3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane?
The canonical SMILES for (3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane is CC1=CCC([Si](c2ccccc2)(c2ccccc2)c2ccc(C)cc2)=C1.
What is the InChIKey of (3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane?
The InChIKey is KSYAAFXUKBZKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Si/c1-20-13-16-24(17-14-20)26(22-9-5-3-6-10-22,23-11-7-4-8-12-23)25-18-15-21(2)19-25/h3-17,19H,18H2,1-2H3.
What are the key properties of (3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane?
(3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane has a molecular weight of 352.55 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopenta-1,3-dien-1-yl)-(4-methylphenyl)-diphenylsilane is sourced from PubChem (CID 123595310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).