tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+)

C17H38NSiZr — CID 58781772

IUPACtert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+)
SMILESCC1C(C)C([Si](C)(C)[N-]C(C)(C)C)[C@H](C)C1C.[CH3-].[CH3-].[Zr+3]
InChIInChI=1S/C15H32NSi.2CH3.Zr/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h10-14H,1-9H3;2*1H3;/q3*-1;+3/t10?,11?,12-,13?,14?;;;/m1.../s1
InChIKeyUBAVKBOONNGTJG-HXSFREFYSA-N
MW375.81 g/mol
LogP6.19
Rot. Bonds2

About tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+)

tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+) (PubChem CID 58781772) has the molecular formula C17H38NSiZr and a molecular weight of 375.81 g/mol. Its IUPAC name is tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+).

Molecular Properties

Compound Nametert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+)
PubChem CID58781772
Molecular FormulaC17H38NSiZr
Molecular Weight375.81 g/mol
Exact Mass374.18
IUPAC Nametert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+)
SMILESCC1C(C)C([Si](C)(C)[N-]C(C)(C)C)[C@H](C)C1C.[CH3-].[CH3-].[Zr+3]
InChIInChI=1S/C15H32NSi.2CH3.Zr/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h10-14H,1-9H3;2*1H3;/q3*-1;+3/t10?,11?,12-,13?,14?;;;/m1.../s1
InChIKeyUBAVKBOONNGTJG-HXSFREFYSA-N
XLogP6.19
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.81
LogP ≤ 56.19
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+)?
The IUPAC name of tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+) (CID 58781772) is tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+).
What is the SMILES notation for tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+)?
The canonical SMILES for tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+) is CC1C(C)C([Si](C)(C)[N-]C(C)(C)C)[C@H](C)C1C.[CH3-].[CH3-].[Zr+3].
What is the InChIKey of tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+)?
The InChIKey is UBAVKBOONNGTJG-HXSFREFYSA-N. The full InChI is InChI=1S/C15H32NSi.2CH3.Zr/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h10-14H,1-9H3;2*1H3;/q3*-1;+3/t10?,11?,12-,13?,14?;;;/m1.../s1.
What are the key properties of tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+)?
tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+) has a molecular weight of 375.81 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(3+) is sourced from PubChem (CID 58781772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).