tetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane

C36H32Cl4Mo2O10 — CID 139044829

IUPACtetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane
SMILESC1CCOC1.C1CCOC1.O=C([O-])c1ccc(Cl)cc1.O=C([O-])c1ccc(Cl)cc1.O=C([O-])c1ccc(Cl)cc1.O=C([O-])c1ccc(Cl)cc1.[Mo+2].[Mo+2]
InChIInChI=1S/4C7H5ClO2.2C4H8O.2Mo/c4*8-6-3-1-5(2-4-6)7(9)10;2*1-2-4-5-3-1;;/h4*1-4H,(H,9,10);2*1-4H2;;/q;;;;;;2*+2/p-4
InChIKeyZPANXWJWKURGKG-UHFFFAOYSA-J
MW958.33 g/mol
LogP4.40
Rot. Bonds4

About tetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane

tetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane (PubChem CID 139044829) has the molecular formula C36H32Cl4Mo2O10 and a molecular weight of 958.33 g/mol. Its IUPAC name is tetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane.

Molecular Properties

Compound Nametetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane
PubChem CID139044829
Molecular FormulaC36H32Cl4Mo2O10
Molecular Weight958.33 g/mol
Exact Mass959.89
IUPAC Nametetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane
SMILESC1CCOC1.C1CCOC1.O=C([O-])c1ccc(Cl)cc1.O=C([O-])c1ccc(Cl)cc1.O=C([O-])c1ccc(Cl)cc1.O=C([O-])c1ccc(Cl)cc1.[Mo+2].[Mo+2]
InChIInChI=1S/4C7H5ClO2.2C4H8O.2Mo/c4*8-6-3-1-5(2-4-6)7(9)10;2*1-2-4-5-3-1;;/h4*1-4H,(H,9,10);2*1-4H2;;/q;;;;;;2*+2/p-4
InChIKeyZPANXWJWKURGKG-UHFFFAOYSA-J
XLogP4.40
TPSA178.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500958.33
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Bis(4-chlorobenzoate);bis(molybdenum(2+));oxolane;bis(2,4,6-tri(propan-2-yl)benzoate)
CID 139044825
[Mo2(O2C-Ph-p-F)4],2THF
CID 139044828
Dicopper;tetrakis(2-chlorobenzoate);dihydrate
CID 139053418
Tetrakis(2-chlorobenzoate);oxolane;bis(ruthenium(2+))
CID 139114653
Oxolane;bis(ruthenium(2+));tetrabenzoate
CID 139130503
Tetrazinc;octakis(2,6-dichlorobenzoate);oxolane
CID 139132837
Tetrakis(3-methylbenzoate);oxolane;bis(ruthenium(2+))
CID 139142715
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(3,5-dichlorobenzoate);hexane;oxolane;bis(ruthenium(2+))
CID 139166060

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane?
The IUPAC name of tetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane (CID 139044829) is tetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane.
What is the SMILES notation for tetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane?
The canonical SMILES for tetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane is C1CCOC1.C1CCOC1.O=C([O-])c1ccc(Cl)cc1.O=C([O-])c1ccc(Cl)cc1.O=C([O-])c1ccc(Cl)cc1.O=C([O-])c1ccc(Cl)cc1.[Mo+2].[Mo+2].
What is the InChIKey of tetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane?
The InChIKey is ZPANXWJWKURGKG-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H5ClO2.2C4H8O.2Mo/c4*8-6-3-1-5(2-4-6)7(9)10;2*1-2-4-5-3-1;;/h4*1-4H,(H,9,10);2*1-4H2;;/q;;;;;;2*+2/p-4.
What are the key properties of tetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane?
tetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane has a molecular weight of 958.33 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-chlorobenzoate);bis(molybdenum(2+));oxolane is sourced from PubChem (CID 139044829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).