methyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride

C19H27Cl3SiTi — CID 173472861

IUPACmethyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCCC[Si](C)(c1ccccc1)C1(C)[C-]=C(C)C(C)=C1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C19H27Si.3ClH.Ti/c1-7-13-20(6,18-11-9-8-10-12-18)19(5)14-15(2)16(3)17(19)4;;;;/h8-12H,7,13H2,1-6H3;3*1H;/q-1;;;;+4/p-3
InChIKeyCILKBDCUIDARNS-UHFFFAOYSA-K
MW437.74 g/mol
LogP-3.75
Rot. Bonds4

About methyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride

methyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride (PubChem CID 173472861) has the molecular formula C19H27Cl3SiTi and a molecular weight of 437.74 g/mol. Its IUPAC name is methyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride.

Molecular Properties

Compound Namemethyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
PubChem CID173472861
Molecular FormulaC19H27Cl3SiTi
Molecular Weight437.74 g/mol
Exact Mass436.04
IUPAC Namemethyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCCC[Si](C)(c1ccccc1)C1(C)[C-]=C(C)C(C)=C1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C19H27Si.3ClH.Ti/c1-7-13-20(6,18-11-9-8-10-12-18)19(5)14-15(2)16(3)17(19)4;;;;/h8-12H,7,13H2,1-6H3;3*1H;/q-1;;;;+4/p-3
InChIKeyCILKBDCUIDARNS-UHFFFAOYSA-K
XLogP-3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.74
LogP ≤ 5-3.75
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

bis(3,5-diethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 173473602
carbanide;(3,5-diethylphenyl)-methyl-propan-2-yl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-diethylphenyl)-methyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))
CID 173474707
carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+)
CID 173473985
bis(3,5-diethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(4+)
CID 173472964
titanium(4+);trimethyl-[3-methyl-5-[(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane;trichloride
CID 173474303
diethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride
CID 19351760
dibutyl-(3-methyl-5-trimethylsilylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 173473584
titanium(4+);trimethyl-[3-methyl-5-[(2-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane;trichloride
CID 173473356
titanium;trimethyl-[3-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-bis(3-trimethylsilylphenyl)silyl]phenyl]silane;trihydrochloride
CID 173475002
carbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane
CID 173473875
titanium(4+);tris(3,5-dibenzyl-2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride
CID 173473156
carbanide;(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-(3,4,5-trimethylphenyl)silane;titanium(3+)
CID 173473995

Frequently Asked Questions

What is the IUPAC name of methyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The IUPAC name of methyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride (CID 173472861) is methyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride.
What is the SMILES notation for methyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The canonical SMILES for methyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride is CCC[Si](C)(c1ccccc1)C1(C)[C-]=C(C)C(C)=C1C.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of methyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The InChIKey is CILKBDCUIDARNS-UHFFFAOYSA-K. The full InChI is InChI=1S/C19H27Si.3ClH.Ti/c1-7-13-20(6,18-11-9-8-10-12-18)19(5)14-15(2)16(3)17(19)4;;;;/h8-12H,7,13H2,1-6H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of methyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
methyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride has a molecular weight of 437.74 g/mol, XLogP of -3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-phenyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride is sourced from PubChem (CID 173472861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).