acetaldehyde;cobalt;methanone

C8H10Co3O7-6 — CID 175255542

IUPACacetaldehyde;cobalt;methanone
SMILESCC=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co].[Co].[Co]
InChIInChI=1S/C2H4O.6CHO.3Co/c1-2-3;6*1-2;;;/h2H,1H3;6*1H;;;/q;6*-1;;;
InChIKeyIWRDWRGLKHFONA-UHFFFAOYSA-N
MW394.96 g/mol
LogP-1.45
Rot. Bonds

About acetaldehyde;cobalt;methanone

acetaldehyde;cobalt;methanone (PubChem CID 175255542) has the molecular formula C8H10Co3O7-6 and a molecular weight of 394.96 g/mol. Its IUPAC name is acetaldehyde;cobalt;methanone.

Molecular Properties

Compound Nameacetaldehyde;cobalt;methanone
PubChem CID175255542
Molecular FormulaC8H10Co3O7-6
Molecular Weight394.96 g/mol
Exact Mass394.85
IUPAC Nameacetaldehyde;cobalt;methanone
SMILESCC=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co].[Co].[Co]
InChIInChI=1S/C2H4O.6CHO.3Co/c1-2-3;6*1-2;;;/h2H,1H3;6*1H;;;/q;6*-1;;;
InChIKeyIWRDWRGLKHFONA-UHFFFAOYSA-N
XLogP-1.45
TPSA119.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.96
LogP ≤ 5-1.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;cobalt;methanone?
The IUPAC name of acetaldehyde;cobalt;methanone (CID 175255542) is acetaldehyde;cobalt;methanone.
What is the SMILES notation for acetaldehyde;cobalt;methanone?
The canonical SMILES for acetaldehyde;cobalt;methanone is CC=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Co].[Co].[Co].
What is the InChIKey of acetaldehyde;cobalt;methanone?
The InChIKey is IWRDWRGLKHFONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.6CHO.3Co/c1-2-3;6*1-2;;;/h2H,1H3;6*1H;;;/q;6*-1;;;.
What are the key properties of acetaldehyde;cobalt;methanone?
acetaldehyde;cobalt;methanone has a molecular weight of 394.96 g/mol, XLogP of -1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;cobalt;methanone is sourced from PubChem (CID 175255542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).