CID 11119654

C8H9O5Ru+ — CID 11119654

IUPAC—
SMILESCC(=O)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2][CH][CH2].[Ru+]
InChIInChI=1S/C3H5.C2H4O2.3CO.Ru/c1-3-2;1-2(3)4;3*1-2;/h3H,1-2H2;1H3,(H,3,4);;;;/q;;;;;+1
InChIKeyIDKXWMDMXPNLRO-UHFFFAOYSA-N
MW286.23 g/mol
LogP0.83
Rot. Bonds

About CID 11119654

CID 11119654 (PubChem CID 11119654) has the molecular formula C8H9O5Ru+ and a molecular weight of 286.23 g/mol.

Molecular Properties

Compound NameCID 11119654
PubChem CID11119654
Molecular FormulaC8H9O5Ru+
Molecular Weight286.23 g/mol
Exact Mass286.95
IUPAC Name—
SMILESCC(=O)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2][CH][CH2].[Ru+]
InChIInChI=1S/C3H5.C2H4O2.3CO.Ru/c1-3-2;1-2(3)4;3*1-2;/h3H,1-2H2;1H3,(H,3,4);;;;/q;;;;;+1
InChIKeyIDKXWMDMXPNLRO-UHFFFAOYSA-N
XLogP0.83
TPSA97.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11119654?
The IUPAC name of CID 11119654 (CID 11119654) is not available.
What is the SMILES notation for CID 11119654?
The canonical SMILES for CID 11119654 is CC(=O)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2][CH][CH2].[Ru+].
What is the InChIKey of CID 11119654?
The InChIKey is IDKXWMDMXPNLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5.C2H4O2.3CO.Ru/c1-3-2;1-2(3)4;3*1-2;/h3H,1-2H2;1H3,(H,3,4);;;;/q;;;;;+1.
What are the key properties of CID 11119654?
CID 11119654 has a molecular weight of 286.23 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11119654 is sourced from PubChem (CID 11119654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).