octakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+))

C72H56Cl16O20Ru4 — CID 139166059

IUPACoctakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+))
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/8C7H4Cl2O2.4C4H8O.4Ru/c8*8-5-2-1-4(7(10)11)3-6(5)9;4*1-2-4-5-3-1;;;;/h8*1-3H,(H,10,11);4*1-4H2;;;;/q;;;;;;;;;;;;4*+2/p-8
InChIKeyQYXQUMVPFPGKDV-UHFFFAOYSA-F
MW2212.75 g/mol
LogP14.03
Rot. Bonds8

About octakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+))

octakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+)) (PubChem CID 139166059) has the molecular formula C72H56Cl16O20Ru4 and a molecular weight of 2212.75 g/mol. Its IUPAC name is octakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+)).

Molecular Properties

Compound Nameoctakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+))
PubChem CID139166059
Molecular FormulaC72H56Cl16O20Ru4
Molecular Weight2212.75 g/mol
Exact Mass2207.46
IUPAC Nameoctakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+))
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/8C7H4Cl2O2.4C4H8O.4Ru/c8*8-5-2-1-4(7(10)11)3-6(5)9;4*1-2-4-5-3-1;;;;/h8*1-3H,(H,10,11);4*1-4H2;;;;/q;;;;;;;;;;;;4*+2/p-8
InChIKeyQYXQUMVPFPGKDV-UHFFFAOYSA-F
XLogP14.03
TPSA357.96 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002212.75
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Related Compounds

[Mo2(O2C-Ph-p-Cl)4],2(THF)
CID 139044829
Tetrakis(2-chlorobenzoate);oxolane;bis(ruthenium(2+))
CID 139114653
Tetrazinc;octakis(2,6-dichlorobenzoate);oxolane
CID 139132837
Hexane;oxolane;bis(ruthenium(2+));tetrakis(2,3,5-trichlorobenzoate)
CID 139166054
Oxolane;bis(ruthenium(2+));tetrakis(2,4,5-trichlorobenzoate)
CID 139166056
Oxolane;bis(ruthenium(2+));tetrakis(3,4,5-trichlorobenzoate)
CID 139166058
Tetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+))
CID 139166060
Tetrakis(3-chlorobenzoate);oxolane;bis(ruthenium(2+))
CID 139166061

Frequently Asked Questions

What is the IUPAC name of octakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+))?
The IUPAC name of octakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+)) (CID 139166059) is octakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+)).
What is the SMILES notation for octakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+))?
The canonical SMILES for octakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+)) is C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.O=C([O-])c1ccc(Cl)c(Cl)c1.[Ru+2].[Ru+2].[Ru+2].[Ru+2].
What is the InChIKey of octakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+))?
The InChIKey is QYXQUMVPFPGKDV-UHFFFAOYSA-F. The full InChI is InChI=1S/8C7H4Cl2O2.4C4H8O.4Ru/c8*8-5-2-1-4(7(10)11)3-6(5)9;4*1-2-4-5-3-1;;;;/h8*1-3H,(H,10,11);4*1-4H2;;;;/q;;;;;;;;;;;;4*+2/p-8.
What are the key properties of octakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+))?
octakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+)) has a molecular weight of 2212.75 g/mol, XLogP of 14.03, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+)) is sourced from PubChem (CID 139166059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).