ethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride

C20H21Cl3SiTi — CID 173383302

IUPACethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCC[Si](C)(C1=[C-]CC=C1c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C20H21Si.3ClH.Ti/c1-3-21(2,18-13-8-5-9-14-18)20-16-10-15-19(20)17-11-6-4-7-12-17;;;;/h4-9,11-15H,3,10H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyNODYMEPZYAHMLL-UHFFFAOYSA-K
MW443.70 g/mol
LogP-4.24
Rot. Bonds4

About ethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride

ethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride (PubChem CID 173383302) has the molecular formula C20H21Cl3SiTi and a molecular weight of 443.70 g/mol. Its IUPAC name is ethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride.

Molecular Properties

Compound Nameethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride
PubChem CID173383302
Molecular FormulaC20H21Cl3SiTi
Molecular Weight443.70 g/mol
Exact Mass442.00
IUPAC Nameethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCC[Si](C)(C1=[C-]CC=C1c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C20H21Si.3ClH.Ti/c1-3-21(2,18-13-8-5-9-14-18)20-16-10-15-19(20)17-11-6-4-7-12-17;;;;/h4-9,11-15H,3,10H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyNODYMEPZYAHMLL-UHFFFAOYSA-K
XLogP-4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.70
LogP ≤ 5-4.24
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 ethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride?
The IUPAC name of ethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride (CID 173383302) is ethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride.
What is the SMILES notation for ethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride?
The canonical SMILES for ethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride is CC[Si](C)(C1=[C-]CC=C1c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of ethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride?
The InChIKey is NODYMEPZYAHMLL-UHFFFAOYSA-K. The full InChI is InChI=1S/C20H21Si.3ClH.Ti/c1-3-21(2,18-13-8-5-9-14-18)20-16-10-15-19(20)17-11-6-4-7-12-17;;;;/h4-9,11-15H,3,10H2,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of ethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride?
ethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride has a molecular weight of 443.70 g/mol, XLogP of -4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride is sourced from PubChem (CID 173383302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).