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

C19H27Cl3SiTi — CID 173384658

IUPAC(3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride
SMILESCCCCc1cc[c-]([Si](CC)(CC)c2ccccc2)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C19H27Si.3ClH.Ti/c1-4-7-11-17-14-15-19(16-17)20(5-2,6-3)18-12-9-8-10-13-18;;;;/h8-10,12-16H,4-7,11H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyWNIPOTVJINQTOV-UHFFFAOYSA-K
MW437.74 g/mol
LogP-4.64
Rot. Bonds7

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

(3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride (PubChem CID 173384658) has the molecular formula C19H27Cl3SiTi and a molecular weight of 437.74 g/mol. Its IUPAC name is (3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride.

Molecular Properties

Compound Name(3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride
PubChem CID173384658
Molecular FormulaC19H27Cl3SiTi
Molecular Weight437.74 g/mol
Exact Mass436.04
IUPAC Name(3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride
SMILESCCCCc1cc[c-]([Si](CC)(CC)c2ccccc2)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C19H27Si.3ClH.Ti/c1-4-7-11-17-14-15-19(16-17)20(5-2,6-3)18-12-9-8-10-13-18;;;;/h8-10,12-16H,4-7,11H2,1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyWNIPOTVJINQTOV-UHFFFAOYSA-K
XLogP-4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.74
LogP ≤ 5-4.64
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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Related Compounds

titanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride
CID 160785166
(4-butylphenyl)methyl-dimethyl-phenylsilane
CID 10636667
diethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 173384723
(2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride
CID 173383669
bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+)
CID 154047489
magnesium bis(2,5-dibutylcyclopenta-1,3-diene)
CID 169222882
bis(2,5-dibutylcyclopenta-1,3-diene);zirconium(2+)
CID 154068385
butylbenzene;propylbenzene
CID 142022125
dodecylbenzene;pyridine
CID 174718010
(3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride
CID 173383735
butylbenzene;hydroxylamine
CID 175142403
titanium(4+);tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride
CID 173383810

Frequently Asked Questions

What is the IUPAC name of (3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride?
The IUPAC name of (3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride (CID 173384658) is (3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride.
What is the SMILES notation for (3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride?
The canonical SMILES for (3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride is CCCCc1cc[c-]([Si](CC)(CC)c2ccccc2)c1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of (3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride?
The InChIKey is WNIPOTVJINQTOV-UHFFFAOYSA-K. The full InChI is InChI=1S/C19H27Si.3ClH.Ti/c1-4-7-11-17-14-15-19(16-17)20(5-2,6-3)18-12-9-8-10-13-18;;;;/h8-10,12-16H,4-7,11H2,1-3H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of (3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride?
(3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride has a molecular weight of 437.74 g/mol, XLogP of -4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride is sourced from PubChem (CID 173384658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).