(2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride

C17H23Cl3SiTi — CID 173383669

IUPAC(2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride
SMILESCC[Si](CC)(c1ccccc1)[c-]1ccc(C)c1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C17H23Si.3ClH.Ti/c1-5-18(6-2,16-10-8-7-9-11-16)17-13-12-14(3)15(17)4;;;;/h7-13H,5-6H2,1-4H3;3*1H;/q-1;;;;+4/p-3
InChIKeyJIOBQGLKKJPSPW-UHFFFAOYSA-K
MW409.68 g/mol
LogP-5.37
Rot. Bonds4

About (2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride

(2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride (PubChem CID 173383669) has the molecular formula C17H23Cl3SiTi and a molecular weight of 409.68 g/mol. Its IUPAC name is (2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride.

Molecular Properties

Compound Name(2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride
PubChem CID173383669
Molecular FormulaC17H23Cl3SiTi
Molecular Weight409.68 g/mol
Exact Mass408.01
IUPAC Name(2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride
SMILESCC[Si](CC)(c1ccccc1)[c-]1ccc(C)c1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C17H23Si.3ClH.Ti/c1-5-18(6-2,16-10-8-7-9-11-16)17-13-12-14(3)15(17)4;;;;/h7-13H,5-6H2,1-4H3;3*1H;/q-1;;;;+4/p-3
InChIKeyJIOBQGLKKJPSPW-UHFFFAOYSA-K
XLogP-5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.68
LogP ≤ 5-5.37
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 (2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride?
The IUPAC name of (2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride (CID 173383669) is (2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride.
What is the SMILES notation for (2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride?
The canonical SMILES for (2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride is CC[Si](CC)(c1ccccc1)[c-]1ccc(C)c1C.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of (2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride?
The InChIKey is JIOBQGLKKJPSPW-UHFFFAOYSA-K. The full InChI is InChI=1S/C17H23Si.3ClH.Ti/c1-5-18(6-2,16-10-8-7-9-11-16)17-13-12-14(3)15(17)4;;;;/h7-13H,5-6H2,1-4H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of (2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride?
(2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride has a molecular weight of 409.68 g/mol, XLogP of -5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride is sourced from PubChem (CID 173383669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).