dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium)

C37H70Cl2P2Ru+2 — CID 23520456

IUPACdichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C=[Ru](Cl)Cl
InChIInChI=1S/2C18H33P.CH2.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h2*16-18H,1-15H2;1H2;2*1H;/q;;;;;+2
InChIKeyJPBPDPAGGRDXNP-UHFFFAOYSA-N
MW748.89 g/mol
LogP13.74
Rot. Bonds6

About dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium)

dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium) (PubChem CID 23520456) has the molecular formula C37H70Cl2P2Ru+2 and a molecular weight of 748.89 g/mol. Its IUPAC name is dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium).

Molecular Properties

Compound Namedichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium)
PubChem CID23520456
Molecular FormulaC37H70Cl2P2Ru+2
Molecular Weight748.89 g/mol
Exact Mass748.34
IUPAC Namedichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C=[Ru](Cl)Cl
InChIInChI=1S/2C18H33P.CH2.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h2*16-18H,1-15H2;1H2;2*1H;/q;;;;;+2
InChIKeyJPBPDPAGGRDXNP-UHFFFAOYSA-N
XLogP13.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.89
LogP ≤ 513.74
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

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Frequently Asked Questions

What is the IUPAC name of dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium)?
The IUPAC name of dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium) (CID 23520456) is dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium).
What is the SMILES notation for dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium)?
The canonical SMILES for dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium) is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C=[Ru](Cl)Cl.
What is the InChIKey of dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium)?
The InChIKey is JPBPDPAGGRDXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H33P.CH2.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h2*16-18H,1-15H2;1H2;2*1H;/q;;;;;+2.
What are the key properties of dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium)?
dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium) has a molecular weight of 748.89 g/mol, XLogP of 13.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium) is sourced from PubChem (CID 23520456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).