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

C18H41NSiZr — CID 58781774

IUPACtert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(4+)
SMILESCC1C(C)C([Si](C)(C)[N-]C(C)(C)C)[C@H](C)C1C.[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C15H32NSi.3CH3.Zr/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;;/h10-14H,1-9H3;3*1H3;/q4*-1;+4/t10?,11?,12-,13?,14?;;;;/m1..../s1
InChIKeyGUOFJGBXKVSMJK-WCVXWGHFSA-N
MW390.84 g/mol
LogP6.64
Rot. Bonds2

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

tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(4+) (PubChem CID 58781774) has the molecular formula C18H41NSiZr and a molecular weight of 390.84 g/mol. Its IUPAC name is tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(4+).

Molecular Properties

Compound Nametert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(4+)
PubChem CID58781774
Molecular FormulaC18H41NSiZr
Molecular Weight390.84 g/mol
Exact Mass389.21
IUPAC Nametert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(4+)
SMILESCC1C(C)C([Si](C)(C)[N-]C(C)(C)C)[C@H](C)C1C.[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C15H32NSi.3CH3.Zr/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;;/h10-14H,1-9H3;3*1H3;/q4*-1;+4/t10?,11?,12-,13?,14?;;;;/m1..../s1
InChIKeyGUOFJGBXKVSMJK-WCVXWGHFSA-N
XLogP6.64
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.84
LogP ≤ 56.64
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(4+)?
The IUPAC name of tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(4+) (CID 58781774) is tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(4+).
What is the SMILES notation for tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(4+)?
The canonical SMILES for tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(4+) is CC1C(C)C([Si](C)(C)[N-]C(C)(C)C)[C@H](C)C1C.[CH3-].[CH3-].[CH3-].[Zr+4].
What is the InChIKey of tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(4+)?
The InChIKey is GUOFJGBXKVSMJK-WCVXWGHFSA-N. The full InChI is InChI=1S/C15H32NSi.3CH3.Zr/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;;/h10-14H,1-9H3;3*1H3;/q4*-1;+4/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(4+)?
tert-butyl-[dimethyl-[(2R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;zirconium(4+) has a molecular weight of 390.84 g/mol, XLogP of 6.64, 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(4+) is sourced from PubChem (CID 58781774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).