2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)

C22H44Cl2SiZr — CID 162280286

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESCC(C)(C)C1CCC([Si](C)(C)C2CCC3CCCCC32)C1.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C20H38Si.2CH3.2ClH.Zr/c1-20(2,3)16-11-12-17(14-16)21(4,5)19-13-10-15-8-6-7-9-18(15)19;;;;;/h15-19H,6-14H2,1-5H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyNHNSUMKHKMNIML-UHFFFAOYSA-L
MW498.81 g/mol
LogP9.16
Rot. Bonds2

About 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+) (PubChem CID 162280286) has the molecular formula C22H44Cl2SiZr and a molecular weight of 498.81 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)
PubChem CID162280286
Molecular FormulaC22H44Cl2SiZr
Molecular Weight498.81 g/mol
Exact Mass496.16
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESCC(C)(C)C1CCC([Si](C)(C)C2CCC3CCCCC32)C1.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C20H38Si.2CH3.2ClH.Zr/c1-20(2,3)16-11-12-17(14-16)21(4,5)19-13-10-15-8-6-7-9-18(15)19;;;;;/h15-19H,6-14H2,1-5H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyNHNSUMKHKMNIML-UHFFFAOYSA-L
XLogP9.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.81
LogP ≤ 59.16
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'}

Analyze 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+) with MolForge

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Related Compounds

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CID 162297844
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CID 162289989
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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+) (CID 162280286) is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+).
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+) is CC(C)(C)C1CCC([Si](C)(C)C2CCC3CCCCC32)C1.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The InChIKey is NHNSUMKHKMNIML-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H38Si.2CH3.2ClH.Zr/c1-20(2,3)16-11-12-17(14-16)21(4,5)19-13-10-15-8-6-7-9-18(15)19;;;;;/h15-19H,6-14H2,1-5H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+) has a molecular weight of 498.81 g/mol, XLogP of 9.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-tert-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162280286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).