ruthenium;tricyclohexylphosphanium

C18H34PRu+ — CID 76540697

IUPACruthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.[Ru]
InChIInChI=1S/C18H33P.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-18H,1-15H2;/p+1
InChIKeyGHPHCACQRYSXSS-UHFFFAOYSA-O
MW382.51 g/mol
LogP6.20
Rot. Bonds3

About ruthenium;tricyclohexylphosphanium

ruthenium;tricyclohexylphosphanium (PubChem CID 76540697) has the molecular formula C18H34PRu+ and a molecular weight of 382.51 g/mol. Its IUPAC name is ruthenium;tricyclohexylphosphanium.

Molecular Properties

Compound Nameruthenium;tricyclohexylphosphanium
PubChem CID76540697
Molecular FormulaC18H34PRu+
Molecular Weight382.51 g/mol
Exact Mass383.14
IUPAC Nameruthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.[Ru]
InChIInChI=1S/C18H33P.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-18H,1-15H2;/p+1
InChIKeyGHPHCACQRYSXSS-UHFFFAOYSA-O
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.20
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 ruthenium;tricyclohexylphosphanium?
The IUPAC name of ruthenium;tricyclohexylphosphanium (CID 76540697) is ruthenium;tricyclohexylphosphanium.
What is the SMILES notation for ruthenium;tricyclohexylphosphanium?
The canonical SMILES for ruthenium;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.[Ru].
What is the InChIKey of ruthenium;tricyclohexylphosphanium?
The InChIKey is GHPHCACQRYSXSS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H33P.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-18H,1-15H2;/p+1.
What are the key properties of ruthenium;tricyclohexylphosphanium?
ruthenium;tricyclohexylphosphanium has a molecular weight of 382.51 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium;tricyclohexylphosphanium is sourced from PubChem (CID 76540697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).