ethaneperoxoic acid;methoxymethane

C4H10O4 — CID 87834215

IUPACethaneperoxoic acid;methoxymethane
SMILESCC(=O)OO.COC
InChIInChI=1S/C2H4O3.C2H6O/c1-2(3)5-4;1-3-2/h4H,1H3;1-2H3
InChIKeyBGYMNOMFJXZFFQ-UHFFFAOYSA-N
MW122.12 g/mol
LogP0.29
Rot. Bonds

About ethaneperoxoic acid;methoxymethane

ethaneperoxoic acid;methoxymethane (PubChem CID 87834215) has the molecular formula C4H10O4 and a molecular weight of 122.12 g/mol. Its IUPAC name is ethaneperoxoic acid;methoxymethane.

Molecular Properties

Compound Nameethaneperoxoic acid;methoxymethane
PubChem CID87834215
Molecular FormulaC4H10O4
Molecular Weight122.12 g/mol
Exact Mass122.06
IUPAC Nameethaneperoxoic acid;methoxymethane
SMILESCC(=O)OO.COC
InChIInChI=1S/C2H4O3.C2H6O/c1-2(3)5-4;1-3-2/h4H,1H3;1-2H3
InChIKeyBGYMNOMFJXZFFQ-UHFFFAOYSA-N
XLogP0.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

CID 87069860
CID 87069860
aluminum ethaneperoxoic acid
CID 22172567
ethaneperoxoic acid;yttrium
CID 88646363
sodium;ethaneperoxoic acid;bromide
CID 175568504
ethane;ethaneperoxoic acid;methanamine
CID 159871057
sodium;ethaneperoxoic acid;acetate
CID 87103299
acetonitrile;ethaneperoxoic acid
CID 160709042
methyl acetate;ruthenium
CID 160799101
butanedioic acid;ethaneperoxoic acid
CID 160919533
acetyl acetate;methoxymethane;propan-2-one
CID 158376836
ethaneperoxoic acid;octane
CID 87879495
argon;methyl acetate
CID 169424774

Frequently Asked Questions

What is the IUPAC name of ethaneperoxoic acid;methoxymethane?
The IUPAC name of ethaneperoxoic acid;methoxymethane (CID 87834215) is ethaneperoxoic acid;methoxymethane.
What is the SMILES notation for ethaneperoxoic acid;methoxymethane?
The canonical SMILES for ethaneperoxoic acid;methoxymethane is CC(=O)OO.COC.
What is the InChIKey of ethaneperoxoic acid;methoxymethane?
The InChIKey is BGYMNOMFJXZFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3.C2H6O/c1-2(3)5-4;1-3-2/h4H,1H3;1-2H3.
What are the key properties of ethaneperoxoic acid;methoxymethane?
ethaneperoxoic acid;methoxymethane has a molecular weight of 122.12 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethaneperoxoic acid;methoxymethane is sourced from PubChem (CID 87834215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).