titanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride

C29H31Cl3SiTi — CID 160785166

IUPACtitanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride
SMILESCCCc1cc[c-]([Si](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C29H31Si.3ClH.Ti/c1-5-9-25-16-17-29(21-25)30(26-13-6-10-22(2)18-26,27-14-7-11-23(3)19-27)28-15-8-12-24(4)20-28;;;;/h6-8,10-21H,5,9H2,1-4H3;3*1H;/q-1;;;;+4/p-3
InChIKeyIJJLWUHPHZUFHF-UHFFFAOYSA-K
MW561.88 g/mol
LogP-4.33
Rot. Bonds6

About titanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride

titanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride (PubChem CID 160785166) has the molecular formula C29H31Cl3SiTi and a molecular weight of 561.88 g/mol. Its IUPAC name is titanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride.

Molecular Properties

Compound Nametitanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride
PubChem CID160785166
Molecular FormulaC29H31Cl3SiTi
Molecular Weight561.88 g/mol
Exact Mass560.07
IUPAC Nametitanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride
SMILESCCCc1cc[c-]([Si](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C29H31Si.3ClH.Ti/c1-5-9-25-16-17-29(21-25)30(26-13-6-10-22(2)18-26,27-14-7-11-23(3)19-27)28-15-8-12-24(4)20-28;;;;/h6-8,10-21H,5,9H2,1-4H3;3*1H;/q-1;;;;+4/p-3
InChIKeyIJJLWUHPHZUFHF-UHFFFAOYSA-K
XLogP-4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.88
LogP ≤ 5-4.33
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane;titanium(4+);trichloride
CID 157151014
1-[bis(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)methyl]-3-methylbenzene;titanium(4+);trichloride
CID 157133759
(3-methylcyclopenta-2,4-dien-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium(4+);trichloride
CID 159589336
1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
CID 123480159
(3-methylphenyl)-tripropylsilane
CID 101204991
(3-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)-dimethylsilane;titanium(4+);trichloride
CID 173383735
furan;1-methyl-3-propylbenzene
CID 90871497
2-(3-methylphenyl)-7-propylquinoline
CID 157170662
ethyl-methyl-bis(3-methylphenyl)silane
CID 58460541
(3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 173383980
dichloro-ethyl-(3-methylphenyl)silane
CID 15514735
chloro-(chloromethyl)-bis(3-methylphenyl)silane
CID 139686300

Frequently Asked Questions

What is the IUPAC name of titanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride?
The IUPAC name of titanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride (CID 160785166) is titanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride.
What is the SMILES notation for titanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride?
The canonical SMILES for titanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride is CCCc1cc[c-]([Si](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)c1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of titanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride?
The InChIKey is IJJLWUHPHZUFHF-UHFFFAOYSA-K. The full InChI is InChI=1S/C29H31Si.3ClH.Ti/c1-5-9-25-16-17-29(21-25)30(26-13-6-10-22(2)18-26,27-14-7-11-23(3)19-27)28-15-8-12-24(4)20-28;;;;/h6-8,10-21H,5,9H2,1-4H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of titanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride?
titanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride has a molecular weight of 561.88 g/mol, XLogP of -4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for titanium(4+);tris(3-methylphenyl)-(3-propylcyclopenta-2,4-dien-1-yl)silane;trichloride is sourced from PubChem (CID 160785166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).