zinc;ethane;methoxymethanone;hydroiodide

C4H9IO2Zn — CID 88611807

IUPACzinc;ethane;methoxymethanone;hydroiodide
SMILESCO[C-]=O.I.[CH2-]C.[Zn+2]
InChIInChI=1S/C2H3O2.C2H5.HI.Zn/c1-4-2-3;1-2;;/h1H3;1H2,2H3;1H;/q2*-1;;+2
InChIKeyDLUWYTXASCBJBV-UHFFFAOYSA-N
MW281.41 g/mol
LogP1.16
Rot. Bonds1

About zinc;ethane;methoxymethanone;hydroiodide

zinc;ethane;methoxymethanone;hydroiodide (PubChem CID 88611807) has the molecular formula C4H9IO2Zn and a molecular weight of 281.41 g/mol. Its IUPAC name is zinc;ethane;methoxymethanone;hydroiodide.

Molecular Properties

Compound Namezinc;ethane;methoxymethanone;hydroiodide
PubChem CID88611807
Molecular FormulaC4H9IO2Zn
Molecular Weight281.41 g/mol
Exact Mass279.89
IUPAC Namezinc;ethane;methoxymethanone;hydroiodide
SMILESCO[C-]=O.I.[CH2-]C.[Zn+2]
InChIInChI=1S/C2H3O2.C2H5.HI.Zn/c1-4-2-3;1-2;;/h1H3;1H2,2H3;1H;/q2*-1;;+2
InChIKeyDLUWYTXASCBJBV-UHFFFAOYSA-N
XLogP1.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;ethane;methoxymethanone;hydroiodide?
The IUPAC name of zinc;ethane;methoxymethanone;hydroiodide (CID 88611807) is zinc;ethane;methoxymethanone;hydroiodide.
What is the SMILES notation for zinc;ethane;methoxymethanone;hydroiodide?
The canonical SMILES for zinc;ethane;methoxymethanone;hydroiodide is CO[C-]=O.I.[CH2-]C.[Zn+2].
What is the InChIKey of zinc;ethane;methoxymethanone;hydroiodide?
The InChIKey is DLUWYTXASCBJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3O2.C2H5.HI.Zn/c1-4-2-3;1-2;;/h1H3;1H2,2H3;1H;/q2*-1;;+2.
What are the key properties of zinc;ethane;methoxymethanone;hydroiodide?
zinc;ethane;methoxymethanone;hydroiodide has a molecular weight of 281.41 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethane;methoxymethanone;hydroiodide is sourced from PubChem (CID 88611807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).