dichlororuthenium;triphenylphosphane;hydrate

C18H17Cl2OPRu — CID 89443339

IUPACdichlororuthenium;triphenylphosphane;hydrate
SMILESCl[Ru]Cl.O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2ClH.H2O.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-15H;2*1H;1H2;/q;;;;+2/p-2
InChIKeyMWBWUJLBKBIACS-UHFFFAOYSA-L
MW452.28 g/mol
LogP4.00
Rot. Bonds3

About dichlororuthenium;triphenylphosphane;hydrate

dichlororuthenium;triphenylphosphane;hydrate (PubChem CID 89443339) has the molecular formula C18H17Cl2OPRu and a molecular weight of 452.28 g/mol. Its IUPAC name is dichlororuthenium;triphenylphosphane;hydrate.

Molecular Properties

Compound Namedichlororuthenium;triphenylphosphane;hydrate
PubChem CID89443339
Molecular FormulaC18H17Cl2OPRu
Molecular Weight452.28 g/mol
Exact Mass451.94
IUPAC Namedichlororuthenium;triphenylphosphane;hydrate
SMILESCl[Ru]Cl.O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2ClH.H2O.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-15H;2*1H;1H2;/q;;;;+2/p-2
InChIKeyMWBWUJLBKBIACS-UHFFFAOYSA-L
XLogP4.00
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenylphosphane
CID 139056248
chlorosilver;triphenylphosphane
CID 12824775
chlorogold;triphenylphosphane
CID 10874691
rhenium;bis(triphenylphosphane);trichloride;hydrate
CID 131675016
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735
tris(triphenylphosphane);hydrobromide
CID 172722268
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;triphenylphosphane;hydrate?
The IUPAC name of dichlororuthenium;triphenylphosphane;hydrate (CID 89443339) is dichlororuthenium;triphenylphosphane;hydrate.
What is the SMILES notation for dichlororuthenium;triphenylphosphane;hydrate?
The canonical SMILES for dichlororuthenium;triphenylphosphane;hydrate is Cl[Ru]Cl.O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichlororuthenium;triphenylphosphane;hydrate?
The InChIKey is MWBWUJLBKBIACS-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H15P.2ClH.H2O.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-15H;2*1H;1H2;/q;;;;+2/p-2.
What are the key properties of dichlororuthenium;triphenylphosphane;hydrate?
dichlororuthenium;triphenylphosphane;hydrate has a molecular weight of 452.28 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;triphenylphosphane;hydrate is sourced from PubChem (CID 89443339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).