bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane

C28H48Si — CID 139672574

IUPACbis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane
SMILESCCC(C)C1=CC([Si](CC)(CC)C2C=C(C(C)CC)C=C2C(C)C)C(C(C)C)=C1
InChIInChI=1S/C28H48Si/c1-11-21(9)23-15-25(19(5)6)27(17-23)29(13-3,14-4)28-18-24(22(10)12-2)16-26(28)20(7)8/h15-22,27-28H,11-14H2,1-10H3
InChIKeyZOJGBISJXZPICH-UHFFFAOYSA-N
MW412.78 g/mol
LogP9.35
Rot. Bonds10

About bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane

bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane (PubChem CID 139672574) has the molecular formula C28H48Si and a molecular weight of 412.78 g/mol. Its IUPAC name is bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane.

Molecular Properties

Compound Namebis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane
PubChem CID139672574
Molecular FormulaC28H48Si
Molecular Weight412.78 g/mol
Exact Mass412.35
IUPAC Namebis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane
SMILESCCC(C)C1=CC([Si](CC)(CC)C2C=C(C(C)CC)C=C2C(C)C)C(C(C)C)=C1
InChIInChI=1S/C28H48Si/c1-11-21(9)23-15-25(19(5)6)27(17-23)29(13-3,14-4)28-18-24(22(10)12-2)16-26(28)20(7)8/h15-22,27-28H,11-14H2,1-10H3
InChIKeyZOJGBISJXZPICH-UHFFFAOYSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.78
LogP ≤ 59.35
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 bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane?
The IUPAC name of bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane (CID 139672574) is bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane.
What is the SMILES notation for bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane?
The canonical SMILES for bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane is CCC(C)C1=CC([Si](CC)(CC)C2C=C(C(C)CC)C=C2C(C)C)C(C(C)C)=C1.
What is the InChIKey of bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane?
The InChIKey is ZOJGBISJXZPICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48Si/c1-11-21(9)23-15-25(19(5)6)27(17-23)29(13-3,14-4)28-18-24(22(10)12-2)16-26(28)20(7)8/h15-22,27-28H,11-14H2,1-10H3.
What are the key properties of bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane?
bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane has a molecular weight of 412.78 g/mol, XLogP of 9.35, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane is sourced from PubChem (CID 139672574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).