butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+)

C21H44Cl2Zr — CID 162291172

IUPACbutylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+)
SMILESCCCCC1CCC(C)C1.CCCCC1CCCC1.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C10H20.C9H18.2CH3.2ClH.Zr/c1-3-4-5-10-7-6-9(2)8-10;1-2-3-6-9-7-4-5-8-9;;;;;/h9-10H,3-8H2,1-2H3;9H,2-8H2,1H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2
InChIKeyGHXWAKYUVSPRAT-UHFFFAOYSA-L
MW458.71 g/mol
LogP9.26
Rot. Bonds6

About butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+)

butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+) (PubChem CID 162291172) has the molecular formula C21H44Cl2Zr and a molecular weight of 458.71 g/mol. Its IUPAC name is butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Namebutylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+)
PubChem CID162291172
Molecular FormulaC21H44Cl2Zr
Molecular Weight458.71 g/mol
Exact Mass456.19
IUPAC Namebutylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+)
SMILESCCCCC1CCC(C)C1.CCCCC1CCCC1.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C10H20.C9H18.2CH3.2ClH.Zr/c1-3-4-5-10-7-6-9(2)8-10;1-2-3-6-9-7-4-5-8-9;;;;;/h9-10H,3-8H2,1-2H3;9H,2-8H2,1H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2
InChIKeyGHXWAKYUVSPRAT-UHFFFAOYSA-L
XLogP9.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.71
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(1-butyl-3-methylcyclopentane);carbanide;dichlorozirconium(2+);molecular hydrogen
CID 162291170
bis(1-butyl-3-methylcyclopentane);carbanide;zirconium(4+)
CID 23232814
carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)
CID 162290746
1-butyl-4-methylcyclooctane
CID 123623113
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
bis(3-butylcyclopentyl)-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162291249
1-hexyl-3,9-dimethylcyclononadecane
CID 59972329
1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
1-butyl-4-propylcyclononane
CID 123467552
1-(4-butyloctyl)-3-methylcyclopentane
CID 123934919
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450

Frequently Asked Questions

What is the IUPAC name of butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+)?
The IUPAC name of butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+) (CID 162291172) is butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+).
What is the SMILES notation for butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+)?
The canonical SMILES for butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+) is CCCCC1CCC(C)C1.CCCCC1CCCC1.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+)?
The InChIKey is GHXWAKYUVSPRAT-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H20.C9H18.2CH3.2ClH.Zr/c1-3-4-5-10-7-6-9(2)8-10;1-2-3-6-9-7-4-5-8-9;;;;;/h9-10H,3-8H2,1-2H3;9H,2-8H2,1H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2.
What are the key properties of butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+)?
butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+) has a molecular weight of 458.71 g/mol, XLogP of 9.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162291172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).