bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+)

C24H40N2SiZr+2 — CID 23230084

IUPACbis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+)
SMILESC[N-]C.C[N-]C.C[Si](C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.[Zr+4]
InChIInChI=1S/C20H28Si.2C2H6N.Zr/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20;2*1-3-2;/h3-10,15-20H,11-14H2,1-2H3;2*1-2H3;/q;2*-1;+4
InChIKeyAAZLHPLXJWCHJS-UHFFFAOYSA-N
MW475.91 g/mol
LogP6.98
Rot. Bonds2

About bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+)

bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+) (PubChem CID 23230084) has the molecular formula C24H40N2SiZr+2 and a molecular weight of 475.91 g/mol. Its IUPAC name is bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+).

Molecular Properties

Compound Namebis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+)
PubChem CID23230084
Molecular FormulaC24H40N2SiZr+2
Molecular Weight475.91 g/mol
Exact Mass474.20
IUPAC Namebis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+)
SMILESC[N-]C.C[N-]C.C[Si](C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.[Zr+4]
InChIInChI=1S/C20H28Si.2C2H6N.Zr/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20;2*1-3-2;/h3-10,15-20H,11-14H2,1-2H3;2*1-2H3;/q;2*-1;+4
InChIKeyAAZLHPLXJWCHJS-UHFFFAOYSA-N
XLogP6.98
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.91
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162297833
2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane
CID 164724338
2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane
CID 59962316
2,3,3a,7a-tetrahydro-1H-inden-1-yl-(5-tert-butyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 140886613
[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+)
CID 23229521
bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane
CID 123504348
2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)phosphane
CID 59930608
[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-cyclohexyl-nonylsilane
CID 59985902
N-[2,3,3a,7a-tetrahydro-1H-inden-1-yloxy(dimethyl)silyl]-2-methylpropan-2-amine
CID 72519678
1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine
CID 59964096
trimethyl-(3-trimethylsilyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 123227996
[[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium
CID 59110802

Frequently Asked Questions

What is the IUPAC name of bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+)?
The IUPAC name of bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+) (CID 23230084) is bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+).
What is the SMILES notation for bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+)?
The canonical SMILES for bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+) is C[N-]C.C[N-]C.C[Si](C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.[Zr+4].
What is the InChIKey of bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+)?
The InChIKey is AAZLHPLXJWCHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Si.2C2H6N.Zr/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20;2*1-3-2;/h3-10,15-20H,11-14H2,1-2H3;2*1-2H3;/q;2*-1;+4.
What are the key properties of bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+)?
bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+) has a molecular weight of 475.91 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+) is sourced from PubChem (CID 23230084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).