butyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride

C23H29Cl3SiTi — CID 173385035

IUPACbutyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
SMILESCCCC[Si](C)(c1cc2ccccc2[cH-]1)c1c(C)cc(C)cc1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C23H29Si.3ClH.Ti/c1-6-7-12-24(5,23-18(3)13-17(2)14-19(23)4)22-15-20-10-8-9-11-21(20)16-22;;;;/h8-11,13-16H,6-7,12H2,1-5H3;3*1H;/q-1;;;;+4/p-3
InChIKeyUFALGQMUJWPGGS-UHFFFAOYSA-K
MW487.80 g/mol
LogP-3.51
Rot. Bonds5

About butyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride

butyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride (PubChem CID 173385035) has the molecular formula C23H29Cl3SiTi and a molecular weight of 487.80 g/mol. Its IUPAC name is butyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride.

Molecular Properties

Compound Namebutyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
PubChem CID173385035
Molecular FormulaC23H29Cl3SiTi
Molecular Weight487.80 g/mol
Exact Mass486.06
IUPAC Namebutyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
SMILESCCCC[Si](C)(c1cc2ccccc2[cH-]1)c1c(C)cc(C)cc1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C23H29Si.3ClH.Ti/c1-6-7-12-24(5,23-18(3)13-17(2)14-19(23)4)22-15-20-10-8-9-11-21(20)16-22;;;;/h8-11,13-16H,6-7,12H2,1-5H3;3*1H;/q-1;;;;+4/p-3
InChIKeyUFALGQMUJWPGGS-UHFFFAOYSA-K
XLogP-3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.80
LogP ≤ 5-3.51
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 butyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)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 butyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
The IUPAC name of butyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride (CID 173385035) is butyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride.
What is the SMILES notation for butyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
The canonical SMILES for butyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride is CCCC[Si](C)(c1cc2ccccc2[cH-]1)c1c(C)cc(C)cc1C.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of butyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
The InChIKey is UFALGQMUJWPGGS-UHFFFAOYSA-K. The full InChI is InChI=1S/C23H29Si.3ClH.Ti/c1-6-7-12-24(5,23-18(3)13-17(2)14-19(23)4)22-15-20-10-8-9-11-21(20)16-22;;;;/h8-11,13-16H,6-7,12H2,1-5H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of butyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride?
butyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride has a molecular weight of 487.80 g/mol, XLogP of -3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(1H-inden-1-id-2-yl)-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride is sourced from PubChem (CID 173385035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).