(3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride

C22H25Cl3SiTi — CID 173383735

IUPAC(3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride
SMILESCc1cc(C)cc([Si](C)(C)[c-]2ccc(Cc3ccccc3)c2)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C22H25Si.3ClH.Ti/c1-17-12-18(2)14-22(13-17)23(3,4)21-11-10-20(16-21)15-19-8-6-5-7-9-19;;;;/h5-14,16H,15H2,1-4H3;3*1H;/q-1;;;;+4/p-3
InChIKeyVPEOIRJVFMQOSL-UHFFFAOYSA-K
MW471.75 g/mol
LogP-4.55
Rot. Bonds4

About (3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride

(3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride (PubChem CID 173383735) has the molecular formula C22H25Cl3SiTi and a molecular weight of 471.75 g/mol. Its IUPAC name is (3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride.

Molecular Properties

Compound Name(3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride
PubChem CID173383735
Molecular FormulaC22H25Cl3SiTi
Molecular Weight471.75 g/mol
Exact Mass470.03
IUPAC Name(3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride
SMILESCc1cc(C)cc([Si](C)(C)[c-]2ccc(Cc3ccccc3)c2)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C22H25Si.3ClH.Ti/c1-17-12-18(2)14-22(13-17)23(3,4)21-11-10-20(16-21)15-19-8-6-5-7-9-19;;;;/h5-14,16H,15H2,1-4H3;3*1H;/q-1;;;;+4/p-3
InChIKeyVPEOIRJVFMQOSL-UHFFFAOYSA-K
XLogP-4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.75
LogP ≤ 5-4.55
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 (3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride?
The IUPAC name of (3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride (CID 173383735) is (3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride.
What is the SMILES notation for (3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride?
The canonical SMILES for (3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride is Cc1cc(C)cc([Si](C)(C)[c-]2ccc(Cc3ccccc3)c2)c1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of (3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride?
The InChIKey is VPEOIRJVFMQOSL-UHFFFAOYSA-K. The full InChI is InChI=1S/C22H25Si.3ClH.Ti/c1-17-12-18(2)14-22(13-17)23(3,4)21-11-10-20(16-21)15-19-8-6-5-7-9-19;;;;/h5-14,16H,15H2,1-4H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of (3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride?
(3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride has a molecular weight of 471.75 g/mol, XLogP of -4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride is sourced from PubChem (CID 173383735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).