bis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium

C40H72N4Ru — CID 175067980

IUPACbis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium
SMILESC1=CCCCC(N2CCCCC/C=N\CCC2)CCCCC1.C1=CCCCC(N2CCCCC/C=N\CCC2)CCCCC1.[Ru]
InChIInChI=1S/2C20H36N2.Ru/c2*1-2-4-6-10-15-20(14-9-5-3-1)22-18-12-8-7-11-16-21-17-13-19-22;/h2*1,3,16,20H,2,4-15,17-19H2;/b2*3-1?,21-16-;
InChIKeyUTLUCLHARZWHTN-OQYFNPFOSA-N
MW710.11 g/mol
LogP10.76
Rot. Bonds2

About bis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium

bis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium (PubChem CID 175067980) has the molecular formula C40H72N4Ru and a molecular weight of 710.11 g/mol. Its IUPAC name is bis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium.

Molecular Properties

Compound Namebis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium
PubChem CID175067980
Molecular FormulaC40H72N4Ru
Molecular Weight710.11 g/mol
Exact Mass710.48
IUPAC Namebis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium
SMILESC1=CCCCC(N2CCCCC/C=N\CCC2)CCCCC1.C1=CCCCC(N2CCCCC/C=N\CCC2)CCCCC1.[Ru]
InChIInChI=1S/2C20H36N2.Ru/c2*1-2-4-6-10-15-20(14-9-5-3-1)22-18-12-8-7-11-16-21-17-13-19-22;/h2*1,3,16,20H,2,4-15,17-19H2;/b2*3-1?,21-16-;
InChIKeyUTLUCLHARZWHTN-OQYFNPFOSA-N
XLogP10.76
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.11
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium?
The IUPAC name of bis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium (CID 175067980) is bis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium.
What is the SMILES notation for bis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium?
The canonical SMILES for bis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium is C1=CCCCC(N2CCCCC/C=N\CCC2)CCCCC1.C1=CCCCC(N2CCCCC/C=N\CCC2)CCCCC1.[Ru].
What is the InChIKey of bis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium?
The InChIKey is UTLUCLHARZWHTN-OQYFNPFOSA-N. The full InChI is InChI=1S/2C20H36N2.Ru/c2*1-2-4-6-10-15-20(14-9-5-3-1)22-18-12-8-7-11-16-21-17-13-19-22;/h2*1,3,16,20H,2,4-15,17-19H2;/b2*3-1?,21-16-;.
What are the key properties of bis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium?
bis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium has a molecular weight of 710.11 g/mol, XLogP of 10.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene);ruthenium is sourced from PubChem (CID 175067980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).