tetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+))

C42H42Cl8O10Ru2 — CID 139166060

IUPACtetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+))
SMILESC1CCOC1.C1CCOC1.CCCCCC.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.[Ru+2].[Ru+2]
InChIInChI=1S/4C7H4Cl2O2.C6H14.2C4H8O.2Ru/c4*8-5-1-4(7(10)11)2-6(9)3-5;1-3-5-6-4-2;2*1-2-4-5-3-1;;/h4*1-3H,(H,10,11);3-6H2,1-2H3;2*1-4H2;;/q;;;;;;;2*+2/p-4
InChIKeyUESNJUDHUZXYHY-UHFFFAOYSA-J
MW1192.55 g/mol
LogP9.60
Rot. Bonds7

About tetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+))

tetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+)) (PubChem CID 139166060) has the molecular formula C42H42Cl8O10Ru2 and a molecular weight of 1192.55 g/mol. Its IUPAC name is tetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+)).

Molecular Properties

Compound Nametetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+))
PubChem CID139166060
Molecular FormulaC42H42Cl8O10Ru2
Molecular Weight1192.55 g/mol
Exact Mass1189.84
IUPAC Nametetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+))
SMILESC1CCOC1.C1CCOC1.CCCCCC.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.[Ru+2].[Ru+2]
InChIInChI=1S/4C7H4Cl2O2.C6H14.2C4H8O.2Ru/c4*8-5-1-4(7(10)11)2-6(9)3-5;1-3-5-6-4-2;2*1-2-4-5-3-1;;/h4*1-3H,(H,10,11);3-6H2,1-2H3;2*1-4H2;;/q;;;;;;;2*+2/p-4
InChIKeyUESNJUDHUZXYHY-UHFFFAOYSA-J
XLogP9.60
TPSA178.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001192.55
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze tetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[Mo2(O2C-Ph-p-Cl)4],2(THF)
CID 139044829
Tetrakis(2-chlorobenzoate);oxolane;bis(ruthenium(2+))
CID 139114653
Oxolane;bis(ruthenium(2+));tetrabenzoate
CID 139130503
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
Octakis(3,4-dichlorobenzoate);oxolane;tetrakis(ruthenium(2+))
CID 139166059
Tetrakis(3-chlorobenzoate);oxolane;bis(ruthenium(2+))
CID 139166061

Frequently Asked Questions

What is the IUPAC name of tetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+))?
The IUPAC name of tetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+)) (CID 139166060) is tetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+)).
What is the SMILES notation for tetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+))?
The canonical SMILES for tetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+)) is C1CCOC1.C1CCOC1.CCCCCC.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.O=C([O-])c1cc(Cl)cc(Cl)c1.[Ru+2].[Ru+2].
What is the InChIKey of tetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+))?
The InChIKey is UESNJUDHUZXYHY-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H4Cl2O2.C6H14.2C4H8O.2Ru/c4*8-5-1-4(7(10)11)2-6(9)3-5;1-3-5-6-4-2;2*1-2-4-5-3-1;;/h4*1-3H,(H,10,11);3-6H2,1-2H3;2*1-4H2;;/q;;;;;;;2*+2/p-4.
What are the key properties of tetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+))?
tetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+)) has a molecular weight of 1192.55 g/mol, XLogP of 9.60, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+)) is sourced from PubChem (CID 139166060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).