tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+)

C38H77NOSiTi — CID 162699641

About tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+)

tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+) (PubChem CID 162699641) has the molecular formula C38H77NOSiTi and a molecular weight of 639.99 g/mol. Its IUPAC name is tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+).

Molecular Properties

• Compound Name: tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+)
• PubChem CID: 162699641
• Molecular Formula: C38H77NOSiTi
• Molecular Weight: 639.99 g/mol
• Exact Mass: 639.53
• IUPAC Name: tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+)
• SMILES: CC1CC2C(C3CCC(C(C)(C)C)CC3)CCCC2C1[Si](C)(CCCCCCOC(C)(C)C)[N-]C(C)(C)C.[CH3-].[CH3-].[CH3-].[Ti+4]
• InChI: InChI=1S/C35H68NOSi.3CH3.Ti/c1-26-25-31-29(27-19-21-28(22-20-27)33(2,3)4)17-16-18-30(31)32(26)38(11,36-34(5,6)7)24-15-13-12-14-23-37-35(8,9)10;;;;/h26-32H,12-25H2,1-11H3;3*1H3;/q4*-1;+4
• InChIKey: VXERHGPZRPCNPG-UHFFFAOYSA-N
• XLogP: 12.75
• TPSA: 23.33 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.99
LogP ≤ 5	12.75
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-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+)?

The IUPAC name of tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+) (CID 162699641) is tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+).

What is the SMILES notation for tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+)?

The canonical SMILES for tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+) is CC1CC2C(C3CCC(C(C)(C)C)CC3)CCCC2C1[Si](C)(CCCCCCOC(C)(C)C)[N-]C(C)(C)C.[CH3-].[CH3-].[CH3-].[Ti+4].

What is the InChIKey of tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+)?

The InChIKey is VXERHGPZRPCNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H68NOSi.3CH3.Ti/c1-26-25-31-29(27-19-21-28(22-20-27)33(2,3)4)17-16-18-30(31)32(26)38(11,36-34(5,6)7)24-15-13-12-14-23-37-35(8,9)10;;;;/h26-32H,12-25H2,1-11H3;3*1H3;/q4*-1;+4.

What are the key properties of tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+)?

tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+) has a molecular weight of 639.99 g/mol, XLogP of 12.75, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+) is sourced from PubChem (CID 162699641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).