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

C26H48Si3 — CID 12983335

IUPACbis(4-tert-butyl-2-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC(C)(C)C1=CC([Si](C)(C)C2C=C(C(C)(C)C)C=C2[Si](C)(C)C)C([Si](C)(C)C)=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/h15-18,23-24H,1-14H3
InChIKeyOEIUZEJKHDULLT-UHFFFAOYSA-N
MW444.93 g/mol
LogP9.02
Rot. Bonds4

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

bis(4-tert-butyl-2-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane (PubChem CID 12983335) has the molecular formula C26H48Si3 and a molecular weight of 444.93 g/mol. Its IUPAC name is bis(4-tert-butyl-2-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(4-tert-butyl-2-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane
PubChem CID12983335
Molecular FormulaC26H48Si3
Molecular Weight444.93 g/mol
Exact Mass444.31
IUPAC Namebis(4-tert-butyl-2-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC(C)(C)C1=CC([Si](C)(C)C2C=C(C(C)(C)C)C=C2[Si](C)(C)C)C([Si](C)(C)C)=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/h15-18,23-24H,1-14H3
InChIKeyOEIUZEJKHDULLT-UHFFFAOYSA-N
XLogP9.02
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 ≤ 59.02
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-2,4-dien-1-yl)-dimethylsilane with MolForge

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Related Compounds

[2-[(E)-2-(3,3-dimethyl-2-trimethylsilylcyclopropen-1-yl)ethenyl]-3,3-dimethylcyclopropen-1-yl]-trimethylsilane
CID 21601812
CID 138970666
CID 138970666
bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane
CID 139174999
1,3,5-Cycloheptatriene, 2,4,7,7-tetramethyl-2,4-bis(trimethylsilyl)-
CID 552112
1,3-Cyclopentadiene, 1,5,5-trimethyl-2-(trimethylsilyl)-
CID 552276
1,3-Cyclopentadiene, 5,5-dimethyl-1-(trimethylsilylmethyl)-
CID 552783
Bicyclo[3.3.0]octa-1,4-diene, 3-isobutenyl-2,3-bis(trimethylsilyl)-
CID 553792
Silane, bis[3-(1,1-dimethylethyl)-2,4-cyclopentadien-1-yl]dimethyl-
CID 11001089
(3-Tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 12053436
Silane, bis(2,4-dimethyl-2,4-cyclopentadien-1-yl)dimethyl-
CID 12156406
Dimethylbis(2-methyl-4-tert-butylcyclopentadienyl)silane
CID 12156407
Bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane
CID 12998001

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-2-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of bis(4-tert-butyl-2-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane (CID 12983335) is bis(4-tert-butyl-2-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(4-tert-butyl-2-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(4-tert-butyl-2-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane is CC(C)(C)C1=CC([Si](C)(C)C2C=C(C(C)(C)C)C=C2[Si](C)(C)C)C([Si](C)(C)C)=C1.
What is the InChIKey of bis(4-tert-butyl-2-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is OEIUZEJKHDULLT-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/h15-18,23-24H,1-14H3.
What are the key properties of bis(4-tert-butyl-2-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
bis(4-tert-butyl-2-trimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 444.93 g/mol, XLogP of 9.02, 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-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 12983335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).