[[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+)

C18H35NOSiTi — CID 59110804

About [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+)

[[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+) (PubChem CID 59110804) has the molecular formula C18H35NOSiTi and a molecular weight of 357.44 g/mol. Its IUPAC name is [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+).

Molecular Properties

• Compound Name: [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+)
• PubChem CID: 59110804
• Molecular Formula: C18H35NOSiTi
• Molecular Weight: 357.44 g/mol
• Exact Mass: 357.20
• IUPAC Name: [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+)
• SMILES: CC(C)(C)[N-][Si](C)(C)O[C@@H]1CCC2C=CC=CC21.[CH3-].[CH3-].[CH3-].[Ti+4]
• InChI: InChI=1S/C15H26NOSi.3CH3.Ti/c1-15(2,3)16-18(4,5)17-14-11-10-12-8-6-7-9-13(12)14;;;;/h6-9,12-14H,10-11H2,1-5H3;3*1H3;/q4*-1;+4/t12?,13?,14-;;;;/m1..../s1
• InChIKey: ONVYDKBKCRLSGE-XILDNEIGSA-N
• XLogP: 5.75
• TPSA: 23.33 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	357.44
LogP ≤ 5	5.75
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 [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+)?

The IUPAC name of [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+) (CID 59110804) is [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+).

What is the SMILES notation for [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+)?

The canonical SMILES for [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+) is CC(C)(C)[N-][Si](C)(C)O[C@@H]1CCC2C=CC=CC21.[CH3-].[CH3-].[CH3-].[Ti+4].

What is the InChIKey of [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+)?

The InChIKey is ONVYDKBKCRLSGE-XILDNEIGSA-N. The full InChI is InChI=1S/C15H26NOSi.3CH3.Ti/c1-15(2,3)16-18(4,5)17-14-11-10-12-8-6-7-9-13(12)14;;;;/h6-9,12-14H,10-11H2,1-5H3;3*1H3;/q4*-1;+4/t12?,13?,14-;;;;/m1..../s1.

What are the key properties of [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+)?

[[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+) has a molecular weight of 357.44 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+) is sourced from PubChem (CID 59110804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).