sodium;ethaneperoxoic acid;acetate

C4H7NaO5 — CID 87103299

IUPACsodium;ethaneperoxoic acid;acetate
SMILESCC(=O)OO.CC(=O)[O-].[Na+]
InChIInChI=1S/C2H4O3.C2H4O2.Na/c1-2(3)5-4;1-2(3)4;/h4H,1H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyFEYUMJOJLZVAOT-UHFFFAOYSA-M
MW158.08 g/mol
LogP-4.22
Rot. Bonds

About sodium;ethaneperoxoic acid;acetate

sodium;ethaneperoxoic acid;acetate (PubChem CID 87103299) has the molecular formula C4H7NaO5 and a molecular weight of 158.08 g/mol. Its IUPAC name is sodium;ethaneperoxoic acid;acetate.

Molecular Properties

Compound Namesodium;ethaneperoxoic acid;acetate
PubChem CID87103299
Molecular FormulaC4H7NaO5
Molecular Weight158.08 g/mol
Exact Mass158.02
IUPAC Namesodium;ethaneperoxoic acid;acetate
SMILESCC(=O)OO.CC(=O)[O-].[Na+]
InChIInChI=1S/C2H4O3.C2H4O2.Na/c1-2(3)5-4;1-2(3)4;/h4H,1H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyFEYUMJOJLZVAOT-UHFFFAOYSA-M
XLogP-4.22
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.08
LogP ≤ 5-4.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

sodium;ethaneperoxoic acid;bromide
CID 175568504
CID 87069860
CID 87069860
aluminum ethaneperoxoic acid
CID 22172567
ethaneperoxoic acid;yttrium
CID 88646363
nonasodium;nonaacetate
CID 173443222
ethaneperoxoic acid;methoxymethane
CID 87834215
disodium;sulfanide;acetate
CID 173135140
sodium;acetate;trihydrofluoride
CID 172761892
sodium;acetate;trihydrate
CID 23665404
sodium;hydron;triacetate
CID 173121634
sodium;alumane;acetate
CID 173418045
potassium;sodium;diacetate
CID 21470705

Frequently Asked Questions

What is the IUPAC name of sodium;ethaneperoxoic acid;acetate?
The IUPAC name of sodium;ethaneperoxoic acid;acetate (CID 87103299) is sodium;ethaneperoxoic acid;acetate.
What is the SMILES notation for sodium;ethaneperoxoic acid;acetate?
The canonical SMILES for sodium;ethaneperoxoic acid;acetate is CC(=O)OO.CC(=O)[O-].[Na+].
What is the InChIKey of sodium;ethaneperoxoic acid;acetate?
The InChIKey is FEYUMJOJLZVAOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O3.C2H4O2.Na/c1-2(3)5-4;1-2(3)4;/h4H,1H3;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of sodium;ethaneperoxoic acid;acetate?
sodium;ethaneperoxoic acid;acetate has a molecular weight of 158.08 g/mol, XLogP of -4.22, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethaneperoxoic acid;acetate is sourced from PubChem (CID 87103299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).