bis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane

C26H48Si3 — CID 54518904

IUPACbis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane
SMILESCC(C)(C)C1=CC([Si](C)(C)C)=C([Si](C)(C)C2=C([Si](C)(C)C)C=C(C(C)(C)C)C2)C1
InChIInChI=1S/C26H48Si3/c1-25(2,3)19-15-21(27(7,8)9)23(17-19)29(13,14)24-18-20(26(4,5)6)16-22(24)28(10,11)12/h15-16H,17-18H2,1-14H3
InChIKeyYOJFSNNIQIRLJG-UHFFFAOYSA-N
MW444.93 g/mol
LogP8.87
Rot. Bonds4

About bis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane

bis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane (PubChem CID 54518904) has the molecular formula C26H48Si3 and a molecular weight of 444.93 g/mol. Its IUPAC name is bis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane
PubChem CID54518904
Molecular FormulaC26H48Si3
Molecular Weight444.93 g/mol
Exact Mass444.31
IUPAC Namebis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane
SMILESCC(C)(C)C1=CC([Si](C)(C)C)=C([Si](C)(C)C2=C([Si](C)(C)C)C=C(C(C)(C)C)C2)C1
InChIInChI=1S/C26H48Si3/c1-25(2,3)19-15-21(27(7,8)9)23(17-19)29(13,14)24-18-20(26(4,5)6)16-22(24)28(10,11)12/h15-16H,17-18H2,1-14H3
InChIKeyYOJFSNNIQIRLJG-UHFFFAOYSA-N
XLogP8.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.93
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
The IUPAC name of bis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane (CID 54518904) is bis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane is CC(C)(C)C1=CC([Si](C)(C)C)=C([Si](C)(C)C2=C([Si](C)(C)C)C=C(C(C)(C)C)C2)C1.
What is the InChIKey of bis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
The InChIKey is YOJFSNNIQIRLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48Si3/c1-25(2,3)19-15-21(27(7,8)9)23(17-19)29(13,14)24-18-20(26(4,5)6)16-22(24)28(10,11)12/h15-16H,17-18H2,1-14H3.
What are the key properties of bis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane?
bis(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane has a molecular weight of 444.93 g/mol, XLogP of 8.87, 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-trimethylsilylcyclopenta-1,3-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 54518904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).