tert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium

C17H37Cl2NSiTi-2 — CID 58997871

IUPACtert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium
SMILESCCC1C(C)C(C)C([Si](C)(C)[N-]C(C)(C)C)C1C.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C16H34NSi.CH3.2ClH.Ti/c1-10-14-11(2)12(3)15(13(14)4)18(8,9)17-16(5,6)7;;;;/h11-15H,10H2,1-9H3;1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyROQSONSUOXAPSG-UHFFFAOYSA-L
MW402.35 g/mol
LogP7.51
Rot. Bonds3

About tert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium

tert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium (PubChem CID 58997871) has the molecular formula C17H37Cl2NSiTi-2 and a molecular weight of 402.35 g/mol. Its IUPAC name is tert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium.

Molecular Properties

Compound Nametert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium
PubChem CID58997871
Molecular FormulaC17H37Cl2NSiTi-2
Molecular Weight402.35 g/mol
Exact Mass401.16
IUPAC Nametert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium
SMILESCCC1C(C)C(C)C([Si](C)(C)[N-]C(C)(C)C)C1C.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C16H34NSi.CH3.2ClH.Ti/c1-10-14-11(2)12(3)15(13(14)4)18(8,9)17-16(5,6)7;;;;/h11-15H,10H2,1-9H3;1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyROQSONSUOXAPSG-UHFFFAOYSA-L
XLogP7.51
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.35
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium?
The IUPAC name of tert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium (CID 58997871) is tert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium.
What is the SMILES notation for tert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium?
The canonical SMILES for tert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium is CCC1C(C)C(C)C([Si](C)(C)[N-]C(C)(C)C)C1C.Cl[Ti]Cl.[CH3-].
What is the InChIKey of tert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium?
The InChIKey is ROQSONSUOXAPSG-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H34NSi.CH3.2ClH.Ti/c1-10-14-11(2)12(3)15(13(14)4)18(8,9)17-16(5,6)7;;;;/h11-15H,10H2,1-9H3;1H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of tert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium?
tert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium has a molecular weight of 402.35 g/mol, XLogP of 7.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-ethyl-2,4,5-trimethylcyclopentyl)-dimethylsilyl]azanide;carbanide;dichlorotitanium is sourced from PubChem (CID 58997871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).