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

C28H48Si — CID 139672607

IUPACbis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane
SMILESCC[Si](CC)(C1C=C(C(C)(C)C)C=C1C(C)C)C1C=C(C(C)(C)C)C=C1C(C)C
InChIInChI=1S/C28H48Si/c1-13-29(14-2,25-17-21(27(7,8)9)15-23(25)19(3)4)26-18-22(28(10,11)12)16-24(26)20(5)6/h15-20,25-26H,13-14H2,1-12H3
InChIKeyPMDINARKGSKWLD-UHFFFAOYSA-N
MW412.78 g/mol
LogP9.35
Rot. Bonds6

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

bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane (PubChem CID 139672607) has the molecular formula C28H48Si and a molecular weight of 412.78 g/mol. Its IUPAC name is bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane.

Molecular Properties

Compound Namebis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane
PubChem CID139672607
Molecular FormulaC28H48Si
Molecular Weight412.78 g/mol
Exact Mass412.35
IUPAC Namebis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane
SMILESCC[Si](CC)(C1C=C(C(C)(C)C)C=C1C(C)C)C1C=C(C(C)(C)C)C=C1C(C)C
InChIInChI=1S/C28H48Si/c1-13-29(14-2,25-17-21(27(7,8)9)15-23(25)19(3)4)26-18-22(28(10,11)12)16-24(26)20(5)6/h15-20,25-26H,13-14H2,1-12H3
InChIKeyPMDINARKGSKWLD-UHFFFAOYSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane?
The IUPAC name of bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane (CID 139672607) is bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane.
What is the SMILES notation for bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane?
The canonical SMILES for bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane is CC[Si](CC)(C1C=C(C(C)(C)C)C=C1C(C)C)C1C=C(C(C)(C)C)C=C1C(C)C.
What is the InChIKey of bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane?
The InChIKey is PMDINARKGSKWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48Si/c1-13-29(14-2,25-17-21(27(7,8)9)15-23(25)19(3)4)26-18-22(28(10,11)12)16-24(26)20(5)6/h15-20,25-26H,13-14H2,1-12H3.
What are the key properties of bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane?
bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane has a molecular weight of 412.78 g/mol, XLogP of 9.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane is sourced from PubChem (CID 139672607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).