cyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)

C15H20Ru — CID 141198221

IUPACcyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)
SMILESCC(C)[c-]1cccc1.[C-]1=CC=CCCC1.[Ru+2]
InChIInChI=1S/C8H11.C7H9.Ru/c1-7(2)8-5-3-4-6-8;1-2-4-6-7-5-3-1;/h3-7H,1-2H3;1-3H,4,6-7H2;/q2*-1;+2
InChIKeyHEPNULNEXXXKGJ-UHFFFAOYSA-N
MW301.40 g/mol
LogP4.61
Rot. Bonds1

About cyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)

cyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+) (PubChem CID 141198221) has the molecular formula C15H20Ru and a molecular weight of 301.40 g/mol. Its IUPAC name is cyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+).

Molecular Properties

Compound Namecyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)
PubChem CID141198221
Molecular FormulaC15H20Ru
Molecular Weight301.40 g/mol
Exact Mass302.06
IUPAC Namecyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)
SMILESCC(C)[c-]1cccc1.[C-]1=CC=CCCC1.[Ru+2]
InChIInChI=1S/C8H11.C7H9.Ru/c1-7(2)8-5-3-4-6-8;1-2-4-6-7-5-3-1;/h3-7H,1-2H3;1-3H,4,6-7H2;/q2*-1;+2
InChIKeyHEPNULNEXXXKGJ-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)?
The IUPAC name of cyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+) (CID 141198221) is cyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+).
What is the SMILES notation for cyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)?
The canonical SMILES for cyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+) is CC(C)[c-]1cccc1.[C-]1=CC=CCCC1.[Ru+2].
What is the InChIKey of cyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)?
The InChIKey is HEPNULNEXXXKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.C7H9.Ru/c1-7(2)8-5-3-4-6-8;1-2-4-6-7-5-3-1;/h3-7H,1-2H3;1-3H,4,6-7H2;/q2*-1;+2.
What are the key properties of cyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+)?
cyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+) has a molecular weight of 301.40 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,3-diene;5-propan-2-ylcyclopenta-1,3-diene;ruthenium(2+) is sourced from PubChem (CID 141198221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).