butyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride

C21H31Cl3SiTi — CID 173384538

IUPACbutyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
SMILESCCCC[Si](C)(C1=CC[C-]=C1CC)c1c(C)cc(C)cc1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C21H31Si.3ClH.Ti/c1-7-9-13-22(6,20-12-10-11-19(20)8-2)21-17(4)14-16(3)15-18(21)5;;;;/h12,14-15H,7-10,13H2,1-6H3;3*1H;/q-1;;;;+4/p-3
InChIKeyRCNKLLMJWAZPAC-UHFFFAOYSA-K
MW465.79 g/mol
LogP-3.28
Rot. Bonds6

About butyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride

butyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride (PubChem CID 173384538) has the molecular formula C21H31Cl3SiTi and a molecular weight of 465.79 g/mol. Its IUPAC name is butyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride.

Molecular Properties

Compound Namebutyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
PubChem CID173384538
Molecular FormulaC21H31Cl3SiTi
Molecular Weight465.79 g/mol
Exact Mass464.07
IUPAC Namebutyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
SMILESCCCC[Si](C)(C1=CC[C-]=C1CC)c1c(C)cc(C)cc1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C21H31Si.3ClH.Ti/c1-7-9-13-22(6,20-12-10-11-19(20)8-2)21-17(4)14-16(3)15-18(21)5;;;;/h12,14-15H,7-10,13H2,1-6H3;3*1H;/q-1;;;;+4/p-3
InChIKeyRCNKLLMJWAZPAC-UHFFFAOYSA-K
XLogP-3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.79
LogP ≤ 5-3.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
The IUPAC name of butyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride (CID 173384538) is butyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride.
What is the SMILES notation for butyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
The canonical SMILES for butyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride is CCCC[Si](C)(C1=CC[C-]=C1CC)c1c(C)cc(C)cc1C.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of butyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
The InChIKey is RCNKLLMJWAZPAC-UHFFFAOYSA-K. The full InChI is InChI=1S/C21H31Si.3ClH.Ti/c1-7-9-13-22(6,20-12-10-11-19(20)8-2)21-17(4)14-16(3)15-18(21)5;;;;/h12,14-15H,7-10,13H2,1-6H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of butyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
butyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride has a molecular weight of 465.79 g/mol, XLogP of -3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(5-ethylcyclopenta-1,4-dien-1-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride is sourced from PubChem (CID 173384538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).