carbanide;carbon monoxide;methanone;molybdenum

C13H14Mo2O12-12 — CID 157322261

IUPACcarbanide;carbon monoxide;methanone;molybdenum
SMILES[C-]#[O+].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Mo].[Mo]
InChIInChI=1S/11CHO.CO.CH3.2Mo/c12*1-2;;;/h11*1H;;1H3;;/q11*-1;;-1;;
InChIKeyIWMIGSGBQCNGIV-UHFFFAOYSA-N
MW554.12 g/mol
LogP-2.61
Rot. Bonds

About carbanide;carbon monoxide;methanone;molybdenum

carbanide;carbon monoxide;methanone;molybdenum (PubChem CID 157322261) has the molecular formula C13H14Mo2O12-12 and a molecular weight of 554.12 g/mol. Its IUPAC name is carbanide;carbon monoxide;methanone;molybdenum.

Molecular Properties

Compound Namecarbanide;carbon monoxide;methanone;molybdenum
PubChem CID157322261
Molecular FormulaC13H14Mo2O12-12
Molecular Weight554.12 g/mol
Exact Mass557.87
IUPAC Namecarbanide;carbon monoxide;methanone;molybdenum
SMILES[C-]#[O+].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Mo].[Mo]
InChIInChI=1S/11CHO.CO.CH3.2Mo/c12*1-2;;;/h11*1H;;1H3;;/q11*-1;;-1;;
InChIKeyIWMIGSGBQCNGIV-UHFFFAOYSA-N
XLogP-2.61
TPSA207.67 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.12
LogP ≤ 5-2.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 carbanide;carbon monoxide;methanone;molybdenum?
The IUPAC name of carbanide;carbon monoxide;methanone;molybdenum (CID 157322261) is carbanide;carbon monoxide;methanone;molybdenum.
What is the SMILES notation for carbanide;carbon monoxide;methanone;molybdenum?
The canonical SMILES for carbanide;carbon monoxide;methanone;molybdenum is [C-]#[O+].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Mo].[Mo].
What is the InChIKey of carbanide;carbon monoxide;methanone;molybdenum?
The InChIKey is IWMIGSGBQCNGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/11CHO.CO.CH3.2Mo/c12*1-2;;;/h11*1H;;1H3;;/q11*-1;;-1;;.
What are the key properties of carbanide;carbon monoxide;methanone;molybdenum?
carbanide;carbon monoxide;methanone;molybdenum has a molecular weight of 554.12 g/mol, XLogP of -2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;carbon monoxide;methanone;molybdenum is sourced from PubChem (CID 157322261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).