tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium

C23H49Cl2NOSiTi-2 — CID 177129995

About tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium

tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium (PubChem CID 177129995) has the molecular formula C23H49Cl2NOSiTi-2 and a molecular weight of 502.51 g/mol. Its IUPAC name is tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium.

Molecular Properties

• Compound Name: tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium
• PubChem CID: 177129995
• Molecular Formula: C23H49Cl2NOSiTi-2
• Molecular Weight: 502.51 g/mol
• Exact Mass: 501.25
• IUPAC Name: tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium
• SMILES: CC1C(C)C(C)C([Si](C)(CCCCOC(C)(C)C)[N-]C(C)(C)C)C1C.Cl[Ti]Cl.[CH3-]
• InChI: InChI=1S/C22H46NOSi.CH3.2ClH.Ti/c1-16-17(2)19(4)20(18(16)3)25(11,23-21(5,6)7)15-13-12-14-24-22(8,9)10;;;;/h16-20H,12-15H2,1-11H3;1H3;2*1H;/q2*-1;;;+2/p-2
• InChIKey: NBJBEMCBMOTIAC-UHFFFAOYSA-L
• XLogP: 9.08
• TPSA: 23.33 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.51
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium?

The IUPAC name of tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium (CID 177129995) is tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium.

What is the SMILES notation for tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium?

The canonical SMILES for tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium is CC1C(C)C(C)C([Si](C)(CCCCOC(C)(C)C)[N-]C(C)(C)C)C1C.Cl[Ti]Cl.[CH3-].

What is the InChIKey of tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium?

The InChIKey is NBJBEMCBMOTIAC-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H46NOSi.CH3.2ClH.Ti/c1-16-17(2)19(4)20(18(16)3)25(11,23-21(5,6)7)15-13-12-14-24-22(8,9)10;;;;/h16-20H,12-15H2,1-11H3;1H3;2*1H;/q2*-1;;;+2/p-2.

What are the key properties of tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium?

tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium has a molecular weight of 502.51 g/mol, XLogP of 9.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium is sourced from PubChem (CID 177129995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).