carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)

C26H54Cl2Zr — CID 162290746

IUPACcarbanide;dichlorozirconium(2+);bis(heptylcyclopentane)
SMILESCCCCCCCC1CCCC1.CCCCCCCC1CCCC1.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/2C12H24.2CH3.2ClH.Zr/c2*1-2-3-4-5-6-9-12-10-7-8-11-12;;;;;/h2*12H,2-11H2,1H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2
InChIKeyZGVGLGKOUFREPS-UHFFFAOYSA-L
MW528.85 g/mol
LogP11.35
Rot. Bonds12

About carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)

carbanide;dichlorozirconium(2+);bis(heptylcyclopentane) (PubChem CID 162290746) has the molecular formula C26H54Cl2Zr and a molecular weight of 528.85 g/mol. Its IUPAC name is carbanide;dichlorozirconium(2+);bis(heptylcyclopentane).

Molecular Properties

Compound Namecarbanide;dichlorozirconium(2+);bis(heptylcyclopentane)
PubChem CID162290746
Molecular FormulaC26H54Cl2Zr
Molecular Weight528.85 g/mol
Exact Mass526.26
IUPAC Namecarbanide;dichlorozirconium(2+);bis(heptylcyclopentane)
SMILESCCCCCCCC1CCCC1.CCCCCCCC1CCCC1.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/2C12H24.2CH3.2ClH.Zr/c2*1-2-3-4-5-6-9-12-10-7-8-11-12;;;;;/h2*12H,2-11H2,1H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2
InChIKeyZGVGLGKOUFREPS-UHFFFAOYSA-L
XLogP11.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.85
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
azane;heptylcyclohexane
CID 121434222
ethene;pentylcyclopentane
CID 145442606
butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+)
CID 162291172
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
heptylcyclohexane;propan-2-one
CID 143570854

Frequently Asked Questions

What is the IUPAC name of carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)?
The IUPAC name of carbanide;dichlorozirconium(2+);bis(heptylcyclopentane) (CID 162290746) is carbanide;dichlorozirconium(2+);bis(heptylcyclopentane).
What is the SMILES notation for carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)?
The canonical SMILES for carbanide;dichlorozirconium(2+);bis(heptylcyclopentane) is CCCCCCCC1CCCC1.CCCCCCCC1CCCC1.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)?
The InChIKey is ZGVGLGKOUFREPS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H24.2CH3.2ClH.Zr/c2*1-2-3-4-5-6-9-12-10-7-8-11-12;;;;;/h2*12H,2-11H2,1H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2.
What are the key properties of carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)?
carbanide;dichlorozirconium(2+);bis(heptylcyclopentane) has a molecular weight of 528.85 g/mol, XLogP of 11.35, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichlorozirconium(2+);bis(heptylcyclopentane) is sourced from PubChem (CID 162290746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).