butyl-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride

C22H33Cl3SiTi — CID 173383476

IUPACbutyl-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
SMILESCCCC[Si](C)(C1=C(C)C(C)=[C-]C1C)c1c(C)cc(C)cc1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C22H33Si.3ClH.Ti/c1-9-10-11-23(8,22-19(6)14-16(3)20(22)7)21-17(4)12-15(2)13-18(21)5;;;;/h12-13,19H,9-11H2,1-8H3;3*1H;/q-1;;;;+4/p-3
InChIKeyBLFUVKGKLMRTHT-UHFFFAOYSA-K
MW479.82 g/mol
LogP-3.04
Rot. Bonds5

About butyl-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride

butyl-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride (PubChem CID 173383476) has the molecular formula C22H33Cl3SiTi and a molecular weight of 479.82 g/mol. Its IUPAC name is butyl-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride.

Molecular Properties

Compound Namebutyl-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
PubChem CID173383476
Molecular FormulaC22H33Cl3SiTi
Molecular Weight479.82 g/mol
Exact Mass478.09
IUPAC Namebutyl-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
SMILESCCCC[Si](C)(C1=C(C)C(C)=[C-]C1C)c1c(C)cc(C)cc1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C22H33Si.3ClH.Ti/c1-9-10-11-23(8,22-19(6)14-16(3)20(22)7)21-17(4)12-15(2)13-18(21)5;;;;/h12-13,19H,9-11H2,1-8H3;3*1H;/q-1;;;;+4/p-3
InChIKeyBLFUVKGKLMRTHT-UHFFFAOYSA-K
XLogP-3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.82
LogP ≤ 5-3.04
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-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
The IUPAC name of butyl-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride (CID 173383476) is butyl-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride.
What is the SMILES notation for butyl-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
The canonical SMILES for butyl-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride is CCCC[Si](C)(C1=C(C)C(C)=[C-]C1C)c1c(C)cc(C)cc1C.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of butyl-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
The InChIKey is BLFUVKGKLMRTHT-UHFFFAOYSA-K. The full InChI is InChI=1S/C22H33Si.3ClH.Ti/c1-9-10-11-23(8,22-19(6)14-16(3)20(22)7)21-17(4)12-15(2)13-18(21)5;;;;/h12-13,19H,9-11H2,1-8H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of butyl-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
butyl-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride has a molecular weight of 479.82 g/mol, XLogP of -3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-methyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride is sourced from PubChem (CID 173383476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).