oxolane;bis(ruthenium(2+));tetrabenzoate

C36H36O10Ru2 — CID 139130503

IUPACoxolane;bis(ruthenium(2+));tetrabenzoate
SMILESC1CCOC1.C1CCOC1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ru+2].[Ru+2]
InChIInChI=1S/4C7H6O2.2C4H8O.2Ru/c4*8-7(9)6-4-2-1-3-5-6;2*1-2-4-5-3-1;;/h4*1-5H,(H,8,9);2*1-4H2;;/q;;;;;;2*+2/p-4
InChIKeyLXSZKJQSQWOLDC-UHFFFAOYSA-J
MW830.81 g/mol
LogP1.79
Rot. Bonds4

About oxolane;bis(ruthenium(2+));tetrabenzoate

oxolane;bis(ruthenium(2+));tetrabenzoate (PubChem CID 139130503) has the molecular formula C36H36O10Ru2 and a molecular weight of 830.81 g/mol. Its IUPAC name is oxolane;bis(ruthenium(2+));tetrabenzoate.

Molecular Properties

Compound Nameoxolane;bis(ruthenium(2+));tetrabenzoate
PubChem CID139130503
Molecular FormulaC36H36O10Ru2
Molecular Weight830.81 g/mol
Exact Mass832.04
IUPAC Nameoxolane;bis(ruthenium(2+));tetrabenzoate
SMILESC1CCOC1.C1CCOC1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ru+2].[Ru+2]
InChIInChI=1S/4C7H6O2.2C4H8O.2Ru/c4*8-7(9)6-4-2-1-3-5-6;2*1-2-4-5-3-1;;/h4*1-5H,(H,8,9);2*1-4H2;;/q;;;;;;2*+2/p-4
InChIKeyLXSZKJQSQWOLDC-UHFFFAOYSA-J
XLogP1.79
TPSA178.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500830.81
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Pentaerythrityl Tetrabenzoate
CID 20167
Dipentaerythrityl hexabenzoate
CID 67878429
Oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate)
CID 139142716
Oxolane;bis(ruthenium(2+));bis(ruthenium(3+));octakis(2-(trifluoromethyl)benzoate);ditetrafluoroborate
CID 139142717
Tetrakis(2,6-bis(trifluoromethyl)benzoate);oxolane;tetrakis(ruthenium(2+));tetraacetate
CID 139168352
Bis(4-ethenylbenzoate);bis(molybdenum(2+));oxolane;bis(2,4,6-tri(propan-2-yl)benzoate)
CID 139044573
Bis(4-fluorobenzoate);bis(molybdenum(2+));oxolane;bis(2,4,6-tri(propan-2-yl)benzoate)
CID 139044824
Bis(4-iodobenzoate);bis(molybdenum(2+));oxolane;bis(2,4,6-tri(propan-2-yl)benzoate)
CID 139044827
[Mo2(O2C-Ph-p-F)4],2THF
CID 139044828
[Mo2(O2C-Ph-p-Cl)4],2(THF)
CID 139044829
Tetra-mu-benzoato-kappa^8^O:O'-bis[(benzoic acid-kappaO)nickel(II)]
CID 139077656
Tetrakis(mu-2-methylbenzoato-kappa^2^O:O')bis[(methanol-kappaO)copper(II)]
CID 139078733

Frequently Asked Questions

What is the IUPAC name of oxolane;bis(ruthenium(2+));tetrabenzoate?
The IUPAC name of oxolane;bis(ruthenium(2+));tetrabenzoate (CID 139130503) is oxolane;bis(ruthenium(2+));tetrabenzoate.
What is the SMILES notation for oxolane;bis(ruthenium(2+));tetrabenzoate?
The canonical SMILES for oxolane;bis(ruthenium(2+));tetrabenzoate is C1CCOC1.C1CCOC1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ru+2].[Ru+2].
What is the InChIKey of oxolane;bis(ruthenium(2+));tetrabenzoate?
The InChIKey is LXSZKJQSQWOLDC-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H6O2.2C4H8O.2Ru/c4*8-7(9)6-4-2-1-3-5-6;2*1-2-4-5-3-1;;/h4*1-5H,(H,8,9);2*1-4H2;;/q;;;;;;2*+2/p-4.
What are the key properties of oxolane;bis(ruthenium(2+));tetrabenzoate?
oxolane;bis(ruthenium(2+));tetrabenzoate has a molecular weight of 830.81 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;bis(ruthenium(2+));tetrabenzoate is sourced from PubChem (CID 139130503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).