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

C20H29Cl3SiTi — CID 173384431

IUPACbutyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
SMILESCCCC[Si](C)(C1=[C-]CC=C1C)c1c(C)cc(C)cc1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C20H29Si.3ClH.Ti/c1-7-8-12-21(6,19-11-9-10-16(19)3)20-17(4)13-15(2)14-18(20)5;;;;/h10,13-14H,7-9,12H2,1-6H3;3*1H;/q-1;;;;+4/p-3
InChIKeySNYBCUIGSOUHHR-UHFFFAOYSA-K
MW451.76 g/mol
LogP-3.67
Rot. Bonds5

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

butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride (PubChem CID 173384431) has the molecular formula C20H29Cl3SiTi and a molecular weight of 451.76 g/mol. Its IUPAC name is butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride.

Molecular Properties

Compound Namebutyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
PubChem CID173384431
Molecular FormulaC20H29Cl3SiTi
Molecular Weight451.76 g/mol
Exact Mass450.06
IUPAC Namebutyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
SMILESCCCC[Si](C)(C1=[C-]CC=C1C)c1c(C)cc(C)cc1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C20H29Si.3ClH.Ti/c1-7-8-12-21(6,19-11-9-10-16(19)3)20-17(4)13-15(2)14-18(20)5;;;;/h10,13-14H,7-9,12H2,1-6H3;3*1H;/q-1;;;;+4/p-3
InChIKeySNYBCUIGSOUHHR-UHFFFAOYSA-K
XLogP-3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.76
LogP ≤ 5-3.67
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-(5-methylcyclopenta-1,4-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
The IUPAC name of butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride (CID 173384431) is butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride.
What is the SMILES notation for butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
The canonical SMILES for butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride is CCCC[Si](C)(C1=[C-]CC=C1C)c1c(C)cc(C)cc1C.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
The InChIKey is SNYBCUIGSOUHHR-UHFFFAOYSA-K. The full InChI is InChI=1S/C20H29Si.3ClH.Ti/c1-7-8-12-21(6,19-11-9-10-16(19)3)20-17(4)13-15(2)14-18(20)5;;;;/h10,13-14H,7-9,12H2,1-6H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride has a molecular weight of 451.76 g/mol, XLogP of -3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride is sourced from PubChem (CID 173384431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).