sodium;ethyl acetate;iodide

C4H8INaO2 — CID 175319293

IUPACsodium;ethyl acetate;iodide
SMILESCCOC(C)=O.[I-].[Na+]
InChIInChI=1S/C4H8O2.HI.Na/c1-3-6-4(2)5;;/h3H2,1-2H3;1H;/q;;+1/p-1
InChIKeyIWWBBDUJSYGLPX-UHFFFAOYSA-M
MW238.00 g/mol
LogP-5.42
Rot. Bonds1

About sodium;ethyl acetate;iodide

sodium;ethyl acetate;iodide (PubChem CID 175319293) has the molecular formula C4H8INaO2 and a molecular weight of 238.00 g/mol. Its IUPAC name is sodium;ethyl acetate;iodide.

Molecular Properties

Compound Namesodium;ethyl acetate;iodide
PubChem CID175319293
Molecular FormulaC4H8INaO2
Molecular Weight238.00 g/mol
Exact Mass237.95
IUPAC Namesodium;ethyl acetate;iodide
SMILESCCOC(C)=O.[I-].[Na+]
InChIInChI=1S/C4H8O2.HI.Na/c1-3-6-4(2)5;;/h3H2,1-2H3;1H;/q;;+1/p-1
InChIKeyIWWBBDUJSYGLPX-UHFFFAOYSA-M
XLogP-5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.00
LogP ≤ 5-5.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;ethyl acetate;hydroxide;hydrate
CID 174492243
ethyl acetate;tetrahydrate
CID 173019761
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl acetate;iodide?
The IUPAC name of sodium;ethyl acetate;iodide (CID 175319293) is sodium;ethyl acetate;iodide.
What is the SMILES notation for sodium;ethyl acetate;iodide?
The canonical SMILES for sodium;ethyl acetate;iodide is CCOC(C)=O.[I-].[Na+].
What is the InChIKey of sodium;ethyl acetate;iodide?
The InChIKey is IWWBBDUJSYGLPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O2.HI.Na/c1-3-6-4(2)5;;/h3H2,1-2H3;1H;/q;;+1/p-1.
What are the key properties of sodium;ethyl acetate;iodide?
sodium;ethyl acetate;iodide has a molecular weight of 238.00 g/mol, XLogP of -5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl acetate;iodide is sourced from PubChem (CID 175319293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).