N-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride

C20H32Cl2NOSi2Zr — CID 87936277

IUPACN-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride
SMILESCCC[Si]1(C)c2[cH-]c3ccc(O[Si](C)(C)C)c(NC(C)(C)C)c3c21.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C20H32NOSi2.2ClH.Zr/c1-9-12-24(8)16-13-14-10-11-15(22-23(5,6)7)18(17(14)19(16)24)21-20(2,3)4;;;/h10-11,13,21H,9,12H2,1-8H3;2*1H;/q-1;;;+3/p-2
InChIKeyRBXWVPMKCPXIIS-UHFFFAOYSA-L
MW520.78 g/mol
LogP-1.10
Rot. Bonds5

About N-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride

N-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride (PubChem CID 87936277) has the molecular formula C20H32Cl2NOSi2Zr and a molecular weight of 520.78 g/mol. Its IUPAC name is N-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride.

Molecular Properties

Compound NameN-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride
PubChem CID87936277
Molecular FormulaC20H32Cl2NOSi2Zr
Molecular Weight520.78 g/mol
Exact Mass518.04
IUPAC NameN-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride
SMILESCCC[Si]1(C)c2[cH-]c3ccc(O[Si](C)(C)C)c(NC(C)(C)C)c3c21.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C20H32NOSi2.2ClH.Zr/c1-9-12-24(8)16-13-14-10-11-15(22-23(5,6)7)18(17(14)19(16)24)21-20(2,3)4;;;/h10-11,13,21H,9,12H2,1-8H3;2*1H;/q-1;;;+3/p-2
InChIKeyRBXWVPMKCPXIIS-UHFFFAOYSA-L
XLogP-1.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.78
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride?
The IUPAC name of N-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride (CID 87936277) is N-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride.
What is the SMILES notation for N-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride?
The canonical SMILES for N-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride is CCC[Si]1(C)c2[cH-]c3ccc(O[Si](C)(C)C)c(NC(C)(C)C)c3c21.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of N-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride?
The InChIKey is RBXWVPMKCPXIIS-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H32NOSi2.2ClH.Zr/c1-9-12-24(8)16-13-14-10-11-15(22-23(5,6)7)18(17(14)19(16)24)21-20(2,3)4;;;/h10-11,13,21H,9,12H2,1-8H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of N-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride?
N-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride has a molecular weight of 520.78 g/mol, XLogP of -1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride is sourced from PubChem (CID 87936277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).