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

C16H35Cl2NSiZr — CID 59952407

IUPACtert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)
SMILESCC1C(C)C(C)C([Si](C)(C)[N-]C(C)(C)C)C1C.Cl[Zr+2]Cl.[CH3-]
InChIInChI=1S/C15H32NSi.CH3.2ClH.Zr/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;;/h10-14H,1-9H3;1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyODCFNEXMPZMJPU-UHFFFAOYSA-L
MW431.68 g/mol
LogP7.12
Rot. Bonds2

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

tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+) (PubChem CID 59952407) has the molecular formula C16H35Cl2NSiZr and a molecular weight of 431.68 g/mol. Its IUPAC name is tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Nametert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)
PubChem CID59952407
Molecular FormulaC16H35Cl2NSiZr
Molecular Weight431.68 g/mol
Exact Mass429.10
IUPAC Nametert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)
SMILESCC1C(C)C(C)C([Si](C)(C)[N-]C(C)(C)C)C1C.Cl[Zr+2]Cl.[CH3-]
InChIInChI=1S/C15H32NSi.CH3.2ClH.Zr/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;;/h10-14H,1-9H3;1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyODCFNEXMPZMJPU-UHFFFAOYSA-L
XLogP7.12
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.68
LogP ≤ 57.12
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-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)?
The IUPAC name of tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+) (CID 59952407) is tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+).
What is the SMILES notation for tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)?
The canonical SMILES for tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+) is CC1C(C)C(C)C([Si](C)(C)[N-]C(C)(C)C)C1C.Cl[Zr+2]Cl.[CH3-].
What is the InChIKey of tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)?
The InChIKey is ODCFNEXMPZMJPU-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H32NSi.CH3.2ClH.Zr/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;;/h10-14H,1-9H3;1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)?
tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+) has a molecular weight of 431.68 g/mol, XLogP of 7.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 59952407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).