tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane

C32H38Si — CID 123161934

IUPACtris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane
SMILESCCCC1=C([Si](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)CC=C1
InChIInChI=1S/C32H38Si/c1-8-10-28-11-9-12-32(28)33(29-16-22(2)13-23(3)17-29,30-18-24(4)14-25(5)19-30)31-20-26(6)15-27(7)21-31/h9,11,13-21H,8,10,12H2,1-7H3
InChIKeyYNLCMFVEXGAJPR-UHFFFAOYSA-N
MW450.74 g/mol
LogP6.60
Rot. Bonds6

About tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane

tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123161934) has the molecular formula C32H38Si and a molecular weight of 450.74 g/mol. Its IUPAC name is tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane
PubChem CID123161934
Molecular FormulaC32H38Si
Molecular Weight450.74 g/mol
Exact Mass450.27
IUPAC Nametris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane
SMILESCCCC1=C([Si](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)CC=C1
InChIInChI=1S/C32H38Si/c1-8-10-28-11-9-12-32(28)33(29-16-22(2)13-23(3)17-29,30-18-24(4)14-25(5)19-30)31-20-26(6)15-27(7)21-31/h9,11,13-21H,8,10,12H2,1-7H3
InChIKeyYNLCMFVEXGAJPR-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.74
LogP ≤ 56.60
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 tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane (CID 123161934) is tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane is CCCC1=C([Si](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)CC=C1.
What is the InChIKey of tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is YNLCMFVEXGAJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38Si/c1-8-10-28-11-9-12-32(28)33(29-16-22(2)13-23(3)17-29,30-18-24(4)14-25(5)19-30)31-20-26(6)15-27(7)21-31/h9,11,13-21H,8,10,12H2,1-7H3.
What are the key properties of tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane?
tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 450.74 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123161934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).