bis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)

C22H46Cl2SiZr — CID 162291249

IUPACbis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESCCCCC1CCC([Si](C)(C)C2CCC(CCCC)C2)C1.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C20H40Si.2CH3.2ClH.Zr/c1-5-7-9-17-11-13-19(15-17)21(3,4)20-14-12-18(16-20)10-8-6-2;;;;;/h17-20H,5-16H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyRKCHCYLIAFRHES-UHFFFAOYSA-L
MW500.83 g/mol
LogP9.69
Rot. Bonds8

About bis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)

bis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+) (PubChem CID 162291249) has the molecular formula C22H46Cl2SiZr and a molecular weight of 500.83 g/mol. Its IUPAC name is bis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Namebis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)
PubChem CID162291249
Molecular FormulaC22H46Cl2SiZr
Molecular Weight500.83 g/mol
Exact Mass498.18
IUPAC Namebis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESCCCCC1CCC([Si](C)(C)C2CCC(CCCC)C2)C1.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C20H40Si.2CH3.2ClH.Zr/c1-5-7-9-17-11-13-19(15-17)21(3,4)20-14-12-18(16-20)10-8-6-2;;;;;/h17-20H,5-16H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyRKCHCYLIAFRHES-UHFFFAOYSA-L
XLogP9.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.83
LogP ≤ 59.69
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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Related Compounds

butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+)
CID 162291172
bis(1-butyl-3-methylcyclopentane);carbanide;dichlorozirconium(2+);molecular hydrogen
CID 162291170
cyclopentyl-dimethyl-(3-propylcyclopentyl)silane
CID 123715127
(3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162291217
carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)
CID 162290746
bis(1-butyl-3-methylcyclopentane);carbanide;zirconium(4+)
CID 23232814
(3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane
CID 59164897
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
[(1R,3S)-3-butylcyclopentyl]methanamine
CID 70345503
1-bromo-3-butylcyclopentane
CID 64508261
1,3-dipentylcyclohexane
CID 54105663
(6R,8aR)-2-butyl-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54310090

Frequently Asked Questions

What is the IUPAC name of bis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The IUPAC name of bis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+) (CID 162291249) is bis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+).
What is the SMILES notation for bis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The canonical SMILES for bis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+) is CCCCC1CCC([Si](C)(C)C2CCC(CCCC)C2)C1.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of bis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The InChIKey is RKCHCYLIAFRHES-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H40Si.2CH3.2ClH.Zr/c1-5-7-9-17-11-13-19(15-17)21(3,4)20-14-12-18(16-20)10-8-6-2;;;;;/h17-20H,5-16H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.
What are the key properties of bis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
bis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+) has a molecular weight of 500.83 g/mol, XLogP of 9.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162291249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).