benzylidene(dichloro)ruthenium;tricyclohexylphosphanium

C25H40Cl2PRu+ — CID 59857898

IUPACbenzylidene(dichloro)ruthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/C18H33P.C7H6.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h16-18H,1-15H2;1-6H;2*1H;/q;;;;+2/p-1
InChIKeyMQTZSGCSKOZKGU-UHFFFAOYSA-M
MW543.55 g/mol
LogP8.96
Rot. Bonds4

About benzylidene(dichloro)ruthenium;tricyclohexylphosphanium

benzylidene(dichloro)ruthenium;tricyclohexylphosphanium (PubChem CID 59857898) has the molecular formula C25H40Cl2PRu+ and a molecular weight of 543.55 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;tricyclohexylphosphanium.

Molecular Properties

Compound Namebenzylidene(dichloro)ruthenium;tricyclohexylphosphanium
PubChem CID59857898
Molecular FormulaC25H40Cl2PRu+
Molecular Weight543.55 g/mol
Exact Mass543.13
IUPAC Namebenzylidene(dichloro)ruthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/C18H33P.C7H6.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h16-18H,1-15H2;1-6H;2*1H;/q;;;;+2/p-1
InChIKeyMQTZSGCSKOZKGU-UHFFFAOYSA-M
XLogP8.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.55
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;tricyclohexylphosphanium?
The IUPAC name of benzylidene(dichloro)ruthenium;tricyclohexylphosphanium (CID 59857898) is benzylidene(dichloro)ruthenium;tricyclohexylphosphanium.
What is the SMILES notation for benzylidene(dichloro)ruthenium;tricyclohexylphosphanium?
The canonical SMILES for benzylidene(dichloro)ruthenium;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=Cc1ccccc1.
What is the InChIKey of benzylidene(dichloro)ruthenium;tricyclohexylphosphanium?
The InChIKey is MQTZSGCSKOZKGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H33P.C7H6.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h16-18H,1-15H2;1-6H;2*1H;/q;;;;+2/p-1.
What are the key properties of benzylidene(dichloro)ruthenium;tricyclohexylphosphanium?
benzylidene(dichloro)ruthenium;tricyclohexylphosphanium has a molecular weight of 543.55 g/mol, XLogP of 8.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(dichloro)ruthenium;tricyclohexylphosphanium is sourced from PubChem (CID 59857898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).