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

C31H36Si — CID 140588709

IUPACtris(3,5-dimethylphenyl)-(3-ethylcyclopenta-1,3-dien-1-yl)silane
SMILESCCC1=CCC([Si](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)=C1
InChIInChI=1S/C31H36Si/c1-8-27-9-10-28(20-27)32(29-14-21(2)11-22(3)15-29,30-16-23(4)12-24(5)17-30)31-18-25(6)13-26(7)19-31/h9,11-20H,8,10H2,1-7H3
InChIKeyJQBUPDGGSHNRHL-UHFFFAOYSA-N
MW436.72 g/mol
LogP6.21
Rot. Bonds5

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

tris(3,5-dimethylphenyl)-(3-ethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 140588709) has the molecular formula C31H36Si and a molecular weight of 436.72 g/mol. Its IUPAC name is tris(3,5-dimethylphenyl)-(3-ethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(3,5-dimethylphenyl)-(3-ethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID140588709
Molecular FormulaC31H36Si
Molecular Weight436.72 g/mol
Exact Mass436.26
IUPAC Nametris(3,5-dimethylphenyl)-(3-ethylcyclopenta-1,3-dien-1-yl)silane
SMILESCCC1=CCC([Si](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)=C1
InChIInChI=1S/C31H36Si/c1-8-27-9-10-28(20-27)32(29-14-21(2)11-22(3)15-29,30-16-23(4)12-24(5)17-30)31-18-25(6)13-26(7)19-31/h9,11-20H,8,10H2,1-7H3
InChIKeyJQBUPDGGSHNRHL-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.72
LogP ≤ 56.21
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)-(3-ethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(3,5-dimethylphenyl)-(3-ethylcyclopenta-1,3-dien-1-yl)silane (CID 140588709) is tris(3,5-dimethylphenyl)-(3-ethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(3,5-dimethylphenyl)-(3-ethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(3,5-dimethylphenyl)-(3-ethylcyclopenta-1,3-dien-1-yl)silane is CCC1=CCC([Si](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)=C1.
What is the InChIKey of tris(3,5-dimethylphenyl)-(3-ethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is JQBUPDGGSHNRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36Si/c1-8-27-9-10-28(20-27)32(29-14-21(2)11-22(3)15-29,30-16-23(4)12-24(5)17-30)31-18-25(6)13-26(7)19-31/h9,11-20H,8,10H2,1-7H3.
What are the key properties of tris(3,5-dimethylphenyl)-(3-ethylcyclopenta-1,3-dien-1-yl)silane?
tris(3,5-dimethylphenyl)-(3-ethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 436.72 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,5-dimethylphenyl)-(3-ethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 140588709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).