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

C26H44Si — CID 139672593

IUPACbis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC(C)C1=CC(C(C)(C)C)=CC1[Si](C)(C)C1C=C(C(C)(C)C)C=C1C(C)C
InChIInChI=1S/C26H44Si/c1-17(2)21-13-19(25(5,6)7)15-23(21)27(11,12)24-16-20(26(8,9)10)14-22(24)18(3)4/h13-18,23-24H,1-12H3
InChIKeySHSKRARQSOISFK-UHFFFAOYSA-N
MW384.72 g/mol
LogP8.57
Rot. Bonds4

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

bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-dimethylsilane (PubChem CID 139672593) has the molecular formula C26H44Si and a molecular weight of 384.72 g/mol. Its IUPAC name is bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-dimethylsilane
PubChem CID139672593
Molecular FormulaC26H44Si
Molecular Weight384.72 g/mol
Exact Mass384.32
IUPAC Namebis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC(C)C1=CC(C(C)(C)C)=CC1[Si](C)(C)C1C=C(C(C)(C)C)C=C1C(C)C
InChIInChI=1S/C26H44Si/c1-17(2)21-13-19(25(5,6)7)15-23(21)27(11,12)24-16-20(26(8,9)10)14-22(24)18(3)4/h13-18,23-24H,1-12H3
InChIKeySHSKRARQSOISFK-UHFFFAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.72
LogP ≤ 58.57
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)-dimethylsilane?
The IUPAC name of bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-dimethylsilane (CID 139672593) is bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-dimethylsilane is CC(C)C1=CC(C(C)(C)C)=CC1[Si](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)-dimethylsilane?
The InChIKey is SHSKRARQSOISFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44Si/c1-17(2)21-13-19(25(5,6)7)15-23(21)27(11,12)24-16-20(26(8,9)10)14-22(24)18(3)4/h13-18,23-24H,1-12H3.
What are the key properties of bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 384.72 g/mol, XLogP of 8.57, 4 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)-dimethylsilane is sourced from PubChem (CID 139672593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).