(3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane

C21H24Si — CID 173384079

IUPAC(3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane
SMILESCc1cc(C)cc([Si](C)(C)C2C=CC=C2c2ccccc2)c1
InChIInChI=1S/C21H24Si/c1-16-13-17(2)15-19(14-16)22(3,4)21-12-8-11-20(21)18-9-6-5-7-10-18/h5-15,21H,1-4H3
InChIKeyWBLCREKBUWGOAQ-UHFFFAOYSA-N
MW304.51 g/mol
LogP5.24
Rot. Bonds3

About (3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane

(3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173384079) has the molecular formula C21H24Si and a molecular weight of 304.51 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173384079
Molecular FormulaC21H24Si
Molecular Weight304.51 g/mol
Exact Mass304.16
IUPAC Name(3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane
SMILESCc1cc(C)cc([Si](C)(C)C2C=CC=C2c2ccccc2)c1
InChIInChI=1S/C21H24Si/c1-16-13-17(2)15-19(14-16)22(3,4)21-12-8-11-20(21)18-9-6-5-7-10-18/h5-15,21H,1-4H3
InChIKeyWBLCREKBUWGOAQ-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.51
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of (3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane (CID 173384079) is (3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for (3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for (3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane is Cc1cc(C)cc([Si](C)(C)C2C=CC=C2c2ccccc2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is WBLCREKBUWGOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Si/c1-16-13-17(2)15-19(14-16)22(3,4)21-12-8-11-20(21)18-9-6-5-7-10-18/h5-15,21H,1-4H3.
What are the key properties of (3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane?
(3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 304.51 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173384079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).