(3,5-dimethylphenyl)-dimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride

C16H24Cl3SiTi- — CID 173474696

IUPAC(3,5-dimethylphenyl)-dimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride
SMILESCC1=[C-]CC=C1[Si](C)(C)c1cc(C)cc(C)c1.Cl.Cl.Cl.[Ti]
InChIInChI=1S/C16H21Si.3ClH.Ti/c1-12-9-13(2)11-15(10-12)17(4,5)16-8-6-7-14(16)3;;;;/h8-11H,6H2,1-5H3;3*1H;/q-1;;;;
InChIKeyGHGUSMRDUSDDCL-UHFFFAOYSA-N
MW398.68 g/mol
LogP5.10
Rot. Bonds2

About (3,5-dimethylphenyl)-dimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride

(3,5-dimethylphenyl)-dimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride (PubChem CID 173474696) has the molecular formula C16H24Cl3SiTi- and a molecular weight of 398.68 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-dimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-dimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride
PubChem CID173474696
Molecular FormulaC16H24Cl3SiTi-
Molecular Weight398.68 g/mol
Exact Mass397.02
IUPAC Name(3,5-dimethylphenyl)-dimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride
SMILESCC1=[C-]CC=C1[Si](C)(C)c1cc(C)cc(C)c1.Cl.Cl.Cl.[Ti]
InChIInChI=1S/C16H21Si.3ClH.Ti/c1-12-9-13(2)11-15(10-12)17(4,5)16-8-6-7-14(16)3;;;;/h8-11H,6H2,1-5H3;3*1H;/q-1;;;;
InChIKeyGHGUSMRDUSDDCL-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.68
LogP ≤ 55.10
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-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride 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-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride?
The IUPAC name of (3,5-dimethylphenyl)-dimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride (CID 173474696) is (3,5-dimethylphenyl)-dimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride.
What is the SMILES notation for (3,5-dimethylphenyl)-dimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride?
The canonical SMILES for (3,5-dimethylphenyl)-dimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride is CC1=[C-]CC=C1[Si](C)(C)c1cc(C)cc(C)c1.Cl.Cl.Cl.[Ti].
What is the InChIKey of (3,5-dimethylphenyl)-dimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride?
The InChIKey is GHGUSMRDUSDDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Si.3ClH.Ti/c1-12-9-13(2)11-15(10-12)17(4,5)16-8-6-7-14(16)3;;;;/h8-11H,6H2,1-5H3;3*1H;/q-1;;;;.
What are the key properties of (3,5-dimethylphenyl)-dimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride?
(3,5-dimethylphenyl)-dimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride has a molecular weight of 398.68 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-dimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane;titanium;trihydrochloride is sourced from PubChem (CID 173474696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).