tert-butyl-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+)

C29H59NOSSiTi — CID 164929806

About tert-butyl-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+)

tert-butyl-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+) (PubChem CID 164929806) has the molecular formula C29H59NOSSiTi and a molecular weight of 545.82 g/mol. Its IUPAC name is tert-butyl-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+).

Molecular Properties

• Compound Name: tert-butyl-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+)
• PubChem CID: 164929806
• Molecular Formula: C29H59NOSSiTi
• Molecular Weight: 545.82 g/mol
• Exact Mass: 545.36
• IUPAC Name: tert-butyl-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+)
• SMILES: CC1=C(C)C2C(C)C(C)C([Si](C)(CCCCCCOC(C)(C)C)[N-]C(C)(C)C)C2S1.[CH3-].[CH3-].[CH3-].[Ti+4]
• InChI: InChI=1S/C26H50NOSSi.3CH3.Ti/c1-18-19(2)24(23-22(18)20(3)21(4)29-23)30(11,27-25(5,6)7)17-15-13-12-14-16-28-26(8,9)10;;;;/h18-19,22-24H,12-17H2,1-11H3;3*1H3;/q4*-1;+4
• InChIKey: IHGNZANATJIURU-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 23.33 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.82
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+)?

The IUPAC name of tert-butyl-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+) (CID 164929806) is tert-butyl-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+).

What is the SMILES notation for tert-butyl-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+)?

The canonical SMILES for tert-butyl-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+) is CC1=C(C)C2C(C)C(C)C([Si](C)(CCCCCCOC(C)(C)C)[N-]C(C)(C)C)C2S1.[CH3-].[CH3-].[CH3-].[Ti+4].

What is the InChIKey of tert-butyl-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+)?

The InChIKey is IHGNZANATJIURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50NOSSi.3CH3.Ti/c1-18-19(2)24(23-22(18)20(3)21(4)29-23)30(11,27-25(5,6)7)17-15-13-12-14-16-28-26(8,9)10;;;;/h18-19,22-24H,12-17H2,1-11H3;3*1H3;/q4*-1;+4.

What are the key properties of tert-butyl-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+)?

tert-butyl-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+) has a molecular weight of 545.82 g/mol, XLogP of 10.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+) is sourced from PubChem (CID 164929806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).