tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium

C17H31Cl2NOSiTi-2 — CID 59110809

About tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium

tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium (PubChem CID 59110809) has the molecular formula C17H31Cl2NOSiTi-2 and a molecular weight of 412.30 g/mol. Its IUPAC name is tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium.

Molecular Properties

• Compound Name: tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium
• PubChem CID: 59110809
• Molecular Formula: C17H31Cl2NOSiTi-2
• Molecular Weight: 412.30 g/mol
• Exact Mass: 411.10
• IUPAC Name: tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium
• SMILES: C[C@@H]1CC2C=CC=CC2[C@@H]1O[Si](C)(C)[N-]C(C)(C)C.Cl[Ti]Cl.[CH3-]
• InChI: InChI=1S/C16H28NOSi.CH3.2ClH.Ti/c1-12-11-13-9-7-8-10-14(13)15(12)18-19(5,6)17-16(2,3)4;;;;/h7-10,12-15H,11H2,1-6H3;1H3;2*1H;/q2*-1;;;+2/p-2/t12-,13?,14?,15-;;;;/m1..../s1
• InChIKey: XIRVPJJMGDSOKH-PLVPTQHPSA-L
• XLogP: 6.47
• TPSA: 23.33 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.30
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium?

The IUPAC name of tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium (CID 59110809) is tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium.

What is the SMILES notation for tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium?

The canonical SMILES for tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium is C[C@@H]1CC2C=CC=CC2[C@@H]1O[Si](C)(C)[N-]C(C)(C)C.Cl[Ti]Cl.[CH3-].

What is the InChIKey of tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium?

The InChIKey is XIRVPJJMGDSOKH-PLVPTQHPSA-L. The full InChI is InChI=1S/C16H28NOSi.CH3.2ClH.Ti/c1-12-11-13-9-7-8-10-14(13)15(12)18-19(5,6)17-16(2,3)4;;;;/h7-10,12-15H,11H2,1-6H3;1H3;2*1H;/q2*-1;;;+2/p-2/t12-,13?,14?,15-;;;;/m1..../s1.

What are the key properties of tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium?

tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium has a molecular weight of 412.30 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]azanide;carbanide;dichlorotitanium is sourced from PubChem (CID 59110809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).