dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium

C31H52Cl2O2PRu+ — CID 59117453

IUPACdichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1
InChIInChI=1S/C18H33P.C13H18O2.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)14-12-6-7-13(11(5)8-12)15-10(3)4;;;/h16-18H,1-15H2;5-10H,1-4H3;2*1H;/q;;;;+2/p-1
InChIKeyAMMZURVQOBBGHD-UHFFFAOYSA-M
MW659.71 g/mol
LogP10.54
Rot. Bonds8

About dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium

dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium (PubChem CID 59117453) has the molecular formula C31H52Cl2O2PRu+ and a molecular weight of 659.71 g/mol. Its IUPAC name is dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium.

Molecular Properties

Compound Namedichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium
PubChem CID59117453
Molecular FormulaC31H52Cl2O2PRu+
Molecular Weight659.71 g/mol
Exact Mass659.21
IUPAC Namedichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1
InChIInChI=1S/C18H33P.C13H18O2.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)14-12-6-7-13(11(5)8-12)15-10(3)4;;;/h16-18H,1-15H2;5-10H,1-4H3;2*1H;/q;;;;+2/p-1
InChIKeyAMMZURVQOBBGHD-UHFFFAOYSA-M
XLogP10.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.71
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153434955
dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 140664604
butane;chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium
CID 59215317
dichloro-[[4-(dimethylsulfamoyl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;tricyclohexylphosphane
CID 91798454
dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium
CID 167346276
carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 20816790
benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium)
CID 157447472
benzylidene(dichloro)ruthenium;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)
CID 162285742
benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium
CID 22899065
dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium
CID 59273370
1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium
CID 159708849
dichloro-[[5-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 135024694

Frequently Asked Questions

What is the IUPAC name of dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium?
The IUPAC name of dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium (CID 59117453) is dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium.
What is the SMILES notation for dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium?
The canonical SMILES for dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1.
What is the InChIKey of dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium?
The InChIKey is AMMZURVQOBBGHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H33P.C13H18O2.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)14-12-6-7-13(11(5)8-12)15-10(3)4;;;/h16-18H,1-15H2;5-10H,1-4H3;2*1H;/q;;;;+2/p-1.
What are the key properties of dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium?
dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium has a molecular weight of 659.71 g/mol, XLogP of 10.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium is sourced from PubChem (CID 59117453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).