1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+)

C13H16ORu — CID 162263063

IUPAC1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+)
SMILESCCc1ccc[cH-]1.COc1ccc[cH-]1.[Ru+2]
InChIInChI=1S/C7H9.C6H7O.Ru/c1-2-7-5-3-4-6-7;1-7-6-4-2-3-5-6;/h3-6H,2H2,1H3;2-5H,1H3;/q2*-1;+2
InChIKeyZZNBRPSECNSUSN-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.38
Rot. Bonds2

About 1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+)

1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+) (PubChem CID 162263063) has the molecular formula C13H16ORu and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+).

Molecular Properties

Compound Name1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+)
PubChem CID162263063
Molecular FormulaC13H16ORu
Molecular Weight289.34 g/mol
Exact Mass290.02
IUPAC Name1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+)
SMILESCCc1ccc[cH-]1.COc1ccc[cH-]1.[Ru+2]
InChIInChI=1S/C7H9.C6H7O.Ru/c1-2-7-5-3-4-6-7;1-7-6-4-2-3-5-6;/h3-6H,2H2,1H3;2-5H,1H3;/q2*-1;+2
InChIKeyZZNBRPSECNSUSN-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+)?
The IUPAC name of 1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+) (CID 162263063) is 1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+).
What is the SMILES notation for 1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+)?
The canonical SMILES for 1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+) is CCc1ccc[cH-]1.COc1ccc[cH-]1.[Ru+2].
What is the InChIKey of 1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+)?
The InChIKey is ZZNBRPSECNSUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9.C6H7O.Ru/c1-2-7-5-3-4-6-7;1-7-6-4-2-3-5-6;/h3-6H,2H2,1H3;2-5H,1H3;/q2*-1;+2.
What are the key properties of 1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+)?
1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+) has a molecular weight of 289.34 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclopenta-1,3-diene;1-methoxycyclopenta-1,3-diene;ruthenium(2+) is sourced from PubChem (CID 162263063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).