carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+)

C26H44SiTi — CID 173473985

About carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+)

carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+) (PubChem CID 173473985) has the molecular formula C26H44SiTi and a molecular weight of 432.59 g/mol. Its IUPAC name is carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+).

Molecular Properties

• Compound Name: carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+)
• PubChem CID: 173473985
• Molecular Formula: C26H44SiTi
• Molecular Weight: 432.59 g/mol
• Exact Mass: 432.27
• IUPAC Name: carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+)
• SMILES: CCC(C)[Si](c1ccccc1)(C(C)CC)C1(C)[C-]=C(C)C(C)=C1C.[CH3-].[CH3-].[CH3-].[Ti+4]
• InChI: InChI=1S/C23H35Si.3CH3.Ti/c1-9-18(4)24(19(5)10-2,22-14-12-11-13-15-22)23(8)16-17(3)20(6)21(23)7;;;;/h11-15,18-19H,9-10H2,1-8H3;3*1H3;/q4*-1;+4
• InChIKey: ASZLPKAQCCDENR-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.59
LogP ≤ 5	8.15
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'}

Frequently Asked Questions

What is the IUPAC name of carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+)?

The IUPAC name of carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+) (CID 173473985) is carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+).

What is the SMILES notation for carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+)?

The canonical SMILES for carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+) is CCC(C)[Si](c1ccccc1)(C(C)CC)C1(C)[C-]=C(C)C(C)=C1C.[CH3-].[CH3-].[CH3-].[Ti+4].

What is the InChIKey of carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+)?

The InChIKey is ASZLPKAQCCDENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35Si.3CH3.Ti/c1-9-18(4)24(19(5)10-2,22-14-12-11-13-15-22)23(8)16-17(3)20(6)21(23)7;;;;/h11-15,18-19H,9-10H2,1-8H3;3*1H3;/q4*-1;+4.

What are the key properties of carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+)?

carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+) has a molecular weight of 432.59 g/mol, XLogP of 8.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+) is sourced from PubChem (CID 173473985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).