hypochlorous acid;ruthenium;tris(triphenylphosphane)

C54H46ClOP3Ru — CID 160643547

IUPAChypochlorous acid;ruthenium;tris(triphenylphosphane)
SMILESOCl.[Ru].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.ClHO.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;2H;
InChIKeyRJMLZEGLWAJXSX-UHFFFAOYSA-N
MW940.41 g/mol
LogP10.46
Rot. Bonds9

About hypochlorous acid;ruthenium;tris(triphenylphosphane)

hypochlorous acid;ruthenium;tris(triphenylphosphane) (PubChem CID 160643547) has the molecular formula C54H46ClOP3Ru and a molecular weight of 940.41 g/mol. Its IUPAC name is hypochlorous acid;ruthenium;tris(triphenylphosphane).

Molecular Properties

Compound Namehypochlorous acid;ruthenium;tris(triphenylphosphane)
PubChem CID160643547
Molecular FormulaC54H46ClOP3Ru
Molecular Weight940.41 g/mol
Exact Mass940.15
IUPAC Namehypochlorous acid;ruthenium;tris(triphenylphosphane)
SMILESOCl.[Ru].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.ClHO.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;2H;
InChIKeyRJMLZEGLWAJXSX-UHFFFAOYSA-N
XLogP10.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.41
LogP ≤ 510.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbonyl dichloride;bis(triphenylphosphane)
CID 87775041
palladium;ruthenium;triphenylphosphane
CID 174683160
triphenylphosphane
CID 139056248
chlorosilver;triphenylphosphane
CID 12824775
chlorogold;triphenylphosphane
CID 10874691
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987
tris(triphenylphosphane);hydrobromide
CID 172722268
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255

Frequently Asked Questions

What is the IUPAC name of hypochlorous acid;ruthenium;tris(triphenylphosphane)?
The IUPAC name of hypochlorous acid;ruthenium;tris(triphenylphosphane) (CID 160643547) is hypochlorous acid;ruthenium;tris(triphenylphosphane).
What is the SMILES notation for hypochlorous acid;ruthenium;tris(triphenylphosphane)?
The canonical SMILES for hypochlorous acid;ruthenium;tris(triphenylphosphane) is OCl.[Ru].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of hypochlorous acid;ruthenium;tris(triphenylphosphane)?
The InChIKey is RJMLZEGLWAJXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15P.ClHO.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;2H;.
What are the key properties of hypochlorous acid;ruthenium;tris(triphenylphosphane)?
hypochlorous acid;ruthenium;tris(triphenylphosphane) has a molecular weight of 940.41 g/mol, XLogP of 10.46, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hypochlorous acid;ruthenium;tris(triphenylphosphane) is sourced from PubChem (CID 160643547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).