cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane

C23H48N2Si2Ti — CID 173316431

About cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane

cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane (PubChem CID 173316431) has the molecular formula C23H48N2Si2Ti and a molecular weight of 456.69 g/mol. Its IUPAC name is cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane.

Molecular Properties

• Compound Name: cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane
• PubChem CID: 173316431
• Molecular Formula: C23H48N2Si2Ti
• Molecular Weight: 456.69 g/mol
• Exact Mass: 456.28
• IUPAC Name: cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane
• SMILES: C[C-](C)C.C[N-]C.C[N-]C.C[Si](C)(C)C=CC=C[Si](C)(C)C.[C-]1=CC=CC1.[Ti+4]
• InChI: InChI=1S/C10H22Si2.C5H5.C4H9.2C2H6N.Ti/c1-11(2,3)9-7-8-10-12(4,5)6;1-2-4-5-3-1;1-4(2)3;2*1-3-2;/h7-10H,1-6H3;1-3H,4H2;1-3H3;2*1-2H3;/q;4*-1;+4
• InChIKey: GTRPHCKLAOZFQH-UHFFFAOYSA-N
• XLogP: 8.02
• TPSA: 28.20 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.69
LogP ≤ 5	8.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?

The IUPAC name of cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane (CID 173316431) is cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane.

What is the SMILES notation for cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?

The canonical SMILES for cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane is C[C-](C)C.C[N-]C.C[N-]C.C[Si](C)(C)C=CC=C[Si](C)(C)C.[C-]1=CC=CC1.[Ti+4].

What is the InChIKey of cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?

The InChIKey is GTRPHCKLAOZFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22Si2.C5H5.C4H9.2C2H6N.Ti/c1-11(2,3)9-7-8-10-12(4,5)6;1-2-4-5-3-1;1-4(2)3;2*1-3-2;/h7-10H,1-6H3;1-3H,4H2;1-3H3;2*1-2H3;/q;4*-1;+4.

What are the key properties of cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane?

cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane has a molecular weight of 456.69 g/mol, XLogP of 8.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+);trimethyl(4-trimethylsilylbuta-1,3-dienyl)silane is sourced from PubChem (CID 173316431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).