(3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride

C18H25Cl3SiTi — CID 173383980

IUPAC(3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCCCc1ccc[c-]1[Si](C)(C)c1cc(C)cc(C)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C18H25Si.3ClH.Ti/c1-6-8-16-9-7-10-18(16)19(4,5)17-12-14(2)11-15(3)13-17;;;;/h7,9-13H,6,8H2,1-5H3;3*1H;/q-1;;;;+4/p-3
InChIKeyVYWMHNRQRVCKCX-UHFFFAOYSA-K
MW423.71 g/mol
LogP-5.19
Rot. Bonds4

About (3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride

(3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride (PubChem CID 173383980) has the molecular formula C18H25Cl3SiTi and a molecular weight of 423.71 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
PubChem CID173383980
Molecular FormulaC18H25Cl3SiTi
Molecular Weight423.71 g/mol
Exact Mass422.03
IUPAC Name(3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCCCc1ccc[c-]1[Si](C)(C)c1cc(C)cc(C)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C18H25Si.3ClH.Ti/c1-6-8-16-9-7-10-18(16)19(4,5)17-12-14(2)11-15(3)13-17;;;;/h7,9-13H,6,8H2,1-5H3;3*1H;/q-1;;;;+4/p-3
InChIKeyVYWMHNRQRVCKCX-UHFFFAOYSA-K
XLogP-5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.71
LogP ≤ 5-5.19
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'}

Analyze (3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The IUPAC name of (3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride (CID 173383980) is (3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride.
What is the SMILES notation for (3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The canonical SMILES for (3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride is CCCc1ccc[c-]1[Si](C)(C)c1cc(C)cc(C)c1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of (3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The InChIKey is VYWMHNRQRVCKCX-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H25Si.3ClH.Ti/c1-6-8-16-9-7-10-18(16)19(4,5)17-12-14(2)11-15(3)13-17;;;;/h7,9-13H,6,8H2,1-5H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of (3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
(3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride has a molecular weight of 423.71 g/mol, XLogP of -5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-dimethyl-(2-propylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride is sourced from PubChem (CID 173383980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).