trimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane

C22H37Cl3Si3 — CID 20679584

IUPACtrimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane
SMILESCC(CCCC[Si](Cl)(Cl)Cl)(C1=CC([Si](C)(C)C)C=C1)C1=CC([Si](C)(C)C)C=C1
InChIInChI=1S/C22H37Cl3Si3/c1-22(14-8-9-15-28(23,24)25,18-10-12-20(16-18)26(2,3)4)19-11-13-21(17-19)27(5,6)7/h10-13,16-17,20-21H,8-9,14-15H2,1-7H3
InChIKeyLAGPRAFROOJLLD-UHFFFAOYSA-N
MW492.16 g/mol
LogP9.23
Rot. Bonds9

About trimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane

trimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane (PubChem CID 20679584) has the molecular formula C22H37Cl3Si3 and a molecular weight of 492.16 g/mol. Its IUPAC name is trimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane.

Molecular Properties

Compound Nametrimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane
PubChem CID20679584
Molecular FormulaC22H37Cl3Si3
Molecular Weight492.16 g/mol
Exact Mass490.13
IUPAC Nametrimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane
SMILESCC(CCCC[Si](Cl)(Cl)Cl)(C1=CC([Si](C)(C)C)C=C1)C1=CC([Si](C)(C)C)C=C1
InChIInChI=1S/C22H37Cl3Si3/c1-22(14-8-9-15-28(23,24)25,18-10-12-20(16-18)26(2,3)4)19-11-13-21(17-19)27(5,6)7/h10-13,16-17,20-21H,8-9,14-15H2,1-7H3
InChIKeyLAGPRAFROOJLLD-UHFFFAOYSA-N
XLogP9.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.16
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane?
The IUPAC name of trimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane (CID 20679584) is trimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane.
What is the SMILES notation for trimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane?
The canonical SMILES for trimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane is CC(CCCC[Si](Cl)(Cl)Cl)(C1=CC([Si](C)(C)C)C=C1)C1=CC([Si](C)(C)C)C=C1.
What is the InChIKey of trimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane?
The InChIKey is LAGPRAFROOJLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37Cl3Si3/c1-22(14-8-9-15-28(23,24)25,18-10-12-20(16-18)26(2,3)4)19-11-13-21(17-19)27(5,6)7/h10-13,16-17,20-21H,8-9,14-15H2,1-7H3.
What are the key properties of trimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane?
trimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane has a molecular weight of 492.16 g/mol, XLogP of 9.23, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[6-trichlorosilyl-2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hexan-2-yl]cyclopenta-2,4-dien-1-yl]silane is sourced from PubChem (CID 20679584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).