octanoic acid;propanoic acid;ruthenium

C11H22O4Ru2 — CID 173427049

IUPACoctanoic acid;propanoic acid;ruthenium
SMILESCCC(=O)O.CCCCCCCC(=O)O.[Ru].[Ru]
InChIInChI=1S/C8H16O2.C3H6O2.2Ru/c1-2-3-4-5-6-7-8(9)10;1-2-3(4)5;;/h2-7H2,1H3,(H,9,10);2H2,1H3,(H,4,5);;
InChIKeyOKKUTCGEGAXXGI-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.91
Rot. Bonds7

About octanoic acid;propanoic acid;ruthenium

octanoic acid;propanoic acid;ruthenium (PubChem CID 173427049) has the molecular formula C11H22O4Ru2 and a molecular weight of 420.43 g/mol. Its IUPAC name is octanoic acid;propanoic acid;ruthenium.

Molecular Properties

Compound Nameoctanoic acid;propanoic acid;ruthenium
PubChem CID173427049
Molecular FormulaC11H22O4Ru2
Molecular Weight420.43 g/mol
Exact Mass421.96
IUPAC Nameoctanoic acid;propanoic acid;ruthenium
SMILESCCC(=O)O.CCCCCCCC(=O)O.[Ru].[Ru]
InChIInChI=1S/C8H16O2.C3H6O2.2Ru/c1-2-3-4-5-6-7-8(9)10;1-2-3(4)5;;/h2-7H2,1H3,(H,9,10);2H2,1H3,(H,4,5);;
InChIKeyOKKUTCGEGAXXGI-UHFFFAOYSA-N
XLogP2.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

decanoic acid;propanoic acid
CID 87792095
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269
CID 131882435
CID 131882435

Frequently Asked Questions

What is the IUPAC name of octanoic acid;propanoic acid;ruthenium?
The IUPAC name of octanoic acid;propanoic acid;ruthenium (CID 173427049) is octanoic acid;propanoic acid;ruthenium.
What is the SMILES notation for octanoic acid;propanoic acid;ruthenium?
The canonical SMILES for octanoic acid;propanoic acid;ruthenium is CCC(=O)O.CCCCCCCC(=O)O.[Ru].[Ru].
What is the InChIKey of octanoic acid;propanoic acid;ruthenium?
The InChIKey is OKKUTCGEGAXXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C3H6O2.2Ru/c1-2-3-4-5-6-7-8(9)10;1-2-3(4)5;;/h2-7H2,1H3,(H,9,10);2H2,1H3,(H,4,5);;.
What are the key properties of octanoic acid;propanoic acid;ruthenium?
octanoic acid;propanoic acid;ruthenium has a molecular weight of 420.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octanoic acid;propanoic acid;ruthenium is sourced from PubChem (CID 173427049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).