CID 11460583

C12H15O2Ru+ — CID 11460583

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.[C-]#[O+].[C-]#[O+].[Ru+]
InChIInChI=1S/C10H15.2CO.Ru/c1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h1-5H3;;;/q;;;+1
InChIKeyWKZAVWYNEMTZRQ-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.89
Rot. Bonds

About CID 11460583

CID 11460583 (PubChem CID 11460583) has the molecular formula C12H15O2Ru+ and a molecular weight of 292.32 g/mol.

Molecular Properties

Compound NameCID 11460583
PubChem CID11460583
Molecular FormulaC12H15O2Ru+
Molecular Weight292.32 g/mol
Exact Mass293.01
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.[C-]#[O+].[C-]#[O+].[Ru+]
InChIInChI=1S/C10H15.2CO.Ru/c1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h1-5H3;;;/q;;;+1
InChIKeyWKZAVWYNEMTZRQ-UHFFFAOYSA-N
XLogP2.89
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 11460583?
The IUPAC name of CID 11460583 (CID 11460583) is not available.
What is the SMILES notation for CID 11460583?
The canonical SMILES for CID 11460583 is C[C]1[C](C)[C](C)[C](C)[C]1C.[C-]#[O+].[C-]#[O+].[Ru+].
What is the InChIKey of CID 11460583?
The InChIKey is WKZAVWYNEMTZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.2CO.Ru/c1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h1-5H3;;;/q;;;+1.
What are the key properties of CID 11460583?
CID 11460583 has a molecular weight of 292.32 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11460583 is sourced from PubChem (CID 11460583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).