acetaldehyde;manganese

C2H4MnO — CID 172998417

IUPACacetaldehyde;manganese
SMILESCC=O.[Mn]
InChIInChI=1S/C2H4O.Mn/c1-2-3;/h2H,1H3;
InChIKeyVAQLRYCROUNORT-UHFFFAOYSA-N
MW98.99 g/mol
LogP0.20
Rot. Bonds

About acetaldehyde;manganese

acetaldehyde;manganese (PubChem CID 172998417) has the molecular formula C2H4MnO and a molecular weight of 98.99 g/mol. Its IUPAC name is acetaldehyde;manganese.

Molecular Properties

Compound Nameacetaldehyde;manganese
PubChem CID172998417
Molecular FormulaC2H4MnO
Molecular Weight98.99 g/mol
Exact Mass98.96
IUPAC Nameacetaldehyde;manganese
SMILESCC=O.[Mn]
InChIInChI=1S/C2H4O.Mn/c1-2-3;/h2H,1H3;
InChIKeyVAQLRYCROUNORT-UHFFFAOYSA-N
XLogP0.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.99
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;manganese?
The IUPAC name of acetaldehyde;manganese (CID 172998417) is acetaldehyde;manganese.
What is the SMILES notation for acetaldehyde;manganese?
The canonical SMILES for acetaldehyde;manganese is CC=O.[Mn].
What is the InChIKey of acetaldehyde;manganese?
The InChIKey is VAQLRYCROUNORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.Mn/c1-2-3;/h2H,1H3;.
What are the key properties of acetaldehyde;manganese?
acetaldehyde;manganese has a molecular weight of 98.99 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;manganese is sourced from PubChem (CID 172998417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).