(3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride

C₂₃H₃₅Cl₃SiTi — CID 173383861

About (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride

(3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride (PubChem CID 173383861) has the molecular formula C₂₃H₃₅Cl₃SiTi and a molecular weight of 493.85 g/mol. Its IUPAC name is (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride.

Molecular Properties

• Compound Name: (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride
• PubChem CID: 173383861
• Molecular Formula: C₂₃H₃₅Cl₃SiTi
• Molecular Weight: 493.85 g/mol
• Exact Mass: 492.11
• IUPAC Name: (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride
• SMILES: CCCCCC1=C(C)[C-]=C(C)C1[SiH2]c1c(C)c(C)c(C)c(C)c1C.[Cl-].[Cl-].[Cl-].[Ti+4]
• InChI: InChI=1S/C23H35Si.3ClH.Ti/c1-9-10-11-12-21-14(2)13-15(3)22(21)24-23-19(7)17(5)16(4)18(6)20(23)8;;;;/h22H,9-12,24H2,1-8H3;3*1H;/q-1;;;;+4/p-3
• InChIKey: CLBFKPMFRXZYND-UHFFFAOYSA-K
• XLogP: -3.52
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.85
LogP ≤ 5	-3.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride?

The IUPAC name of (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride (CID 173383861) is (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride.

What is the SMILES notation for (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride?

The canonical SMILES for (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride is CCCCCC1=C(C)[C-]=C(C)C1[SiH2]c1c(C)c(C)c(C)c(C)c1C.[Cl-].[Cl-].[Cl-].[Ti+4].

What is the InChIKey of (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride?

The InChIKey is CLBFKPMFRXZYND-UHFFFAOYSA-K. The full InChI is InChI=1S/C23H35Si.3ClH.Ti/c1-9-10-11-12-21-14(2)13-15(3)22(21)24-23-19(7)17(5)16(4)18(6)20(23)8;;;;/h22H,9-12,24H2,1-8H3;3*1H;/q-1;;;;+4/p-3.

What are the key properties of (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride?

(3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride has a molecular weight of 493.85 g/mol, XLogP of -3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride is sourced from PubChem (CID 173383861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173383861 — identifiers, structure, computed properties (public domain)

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