(3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride

C23H35Cl3SiTi — CID 173383861

IUPAC(3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride
SMILESCCCCCC1=C(C)[C-]=C(C)C1[SiH2]c1c(C)c(C)c(C)c(C)c1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C23H35Si.3ClH.Ti/c1-9-10-11-12-21-14(2)13-15(3)22(21)24-23-19(7)17(5)16(4)18(6)20(23)8;;;;/h22H,9-12,24H2,1-8H3;3*1H;/q-1;;;;+4/p-3
InChIKeyCLBFKPMFRXZYND-UHFFFAOYSA-K
MW493.85 g/mol
LogP-3.52
Rot. Bonds6

About (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride

(3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride (PubChem CID 173383861) has the molecular formula C23H35Cl3SiTi and a molecular weight of 493.85 g/mol. Its IUPAC name is (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride.

Molecular Properties

Compound Name(3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride
PubChem CID173383861
Molecular FormulaC23H35Cl3SiTi
Molecular Weight493.85 g/mol
Exact Mass492.11
IUPAC Name(3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride
SMILESCCCCCC1=C(C)[C-]=C(C)C1[SiH2]c1c(C)c(C)c(C)c(C)c1C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C23H35Si.3ClH.Ti/c1-9-10-11-12-21-14(2)13-15(3)22(21)24-23-19(7)17(5)16(4)18(6)20(23)8;;;;/h22H,9-12,24H2,1-8H3;3*1H;/q-1;;;;+4/p-3
InChIKeyCLBFKPMFRXZYND-UHFFFAOYSA-K
XLogP-3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.85
LogP ≤ 5-3.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)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-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride?
The IUPAC name of (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride (CID 173383861) is (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride.
What is the SMILES notation for (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride?
The canonical SMILES for (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride is CCCCCC1=C(C)[C-]=C(C)C1[SiH2]c1c(C)c(C)c(C)c(C)c1C.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride?
The InChIKey is CLBFKPMFRXZYND-UHFFFAOYSA-K. The full InChI is InChI=1S/C23H35Si.3ClH.Ti/c1-9-10-11-12-21-14(2)13-15(3)22(21)24-23-19(7)17(5)16(4)18(6)20(23)8;;;;/h22H,9-12,24H2,1-8H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride?
(3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride has a molecular weight of 493.85 g/mol, XLogP of -3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-2-pentylcyclopenta-2,4-dien-1-yl)-(2,3,4,5,6-pentamethylphenyl)silane;titanium(4+);trichloride is sourced from PubChem (CID 173383861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).