manganese;methanone;propan-1-one

C8H10MnO6-6 — CID 88800461

IUPACmanganese;methanone;propan-1-one
SMILESCC[C-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Mn]
InChIInChI=1S/C3H5O.5CHO.Mn/c1-2-3-4;5*1-2;/h2H2,1H3;5*1H;/q6*-1;
InChIKeyGYGROCSVXYNCHL-UHFFFAOYSA-N
MW257.10 g/mol
LogP-0.87
Rot. Bonds1

About manganese;methanone;propan-1-one

manganese;methanone;propan-1-one (PubChem CID 88800461) has the molecular formula C8H10MnO6-6 and a molecular weight of 257.10 g/mol. Its IUPAC name is manganese;methanone;propan-1-one.

Molecular Properties

Compound Namemanganese;methanone;propan-1-one
PubChem CID88800461
Molecular FormulaC8H10MnO6-6
Molecular Weight257.10 g/mol
Exact Mass256.99
IUPAC Namemanganese;methanone;propan-1-one
SMILESCC[C-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Mn]
InChIInChI=1S/C3H5O.5CHO.Mn/c1-2-3-4;5*1-2;/h2H2,1H3;5*1H;/q6*-1;
InChIKeyGYGROCSVXYNCHL-UHFFFAOYSA-N
XLogP-0.87
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 manganese;methanone;propan-1-one?
The IUPAC name of manganese;methanone;propan-1-one (CID 88800461) is manganese;methanone;propan-1-one.
What is the SMILES notation for manganese;methanone;propan-1-one?
The canonical SMILES for manganese;methanone;propan-1-one is CC[C-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Mn].
What is the InChIKey of manganese;methanone;propan-1-one?
The InChIKey is GYGROCSVXYNCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O.5CHO.Mn/c1-2-3-4;5*1-2;/h2H2,1H3;5*1H;/q6*-1;.
What are the key properties of manganese;methanone;propan-1-one?
manganese;methanone;propan-1-one has a molecular weight of 257.10 g/mol, XLogP of -0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;methanone;propan-1-one is sourced from PubChem (CID 88800461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).