methoxy hydrogen carbonate

C2H4O4 — CID 19018247

IUPACmethoxy hydrogen carbonate
SMILESCOOC(=O)O
InChIInChI=1S/C2H4O4/c1-5-6-2(3)4/h1H3,(H,3,4)
InChIKeyQGCCYBZITYJPJV-UHFFFAOYSA-N
MW92.05 g/mol
LogP0.24
Rot. Bonds1

About methoxy hydrogen carbonate

methoxy hydrogen carbonate (PubChem CID 19018247) has the molecular formula C2H4O4 and a molecular weight of 92.05 g/mol. Its IUPAC name is methoxy hydrogen carbonate.

Molecular Properties

Compound Namemethoxy hydrogen carbonate
PubChem CID19018247
Molecular FormulaC2H4O4
Molecular Weight92.05 g/mol
Exact Mass92.01
IUPAC Namemethoxy hydrogen carbonate
SMILESCOOC(=O)O
InChIInChI=1S/C2H4O4/c1-5-6-2(3)4/h1H3,(H,3,4)
InChIKeyQGCCYBZITYJPJV-UHFFFAOYSA-N
XLogP0.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.05
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Methoxycarbonate
CID 19352789
Magnesium;hydrogen carbonate;methanolate
CID 12541340
Methoxysulfanyl hydrogen carbonate
CID 18541673
Hydroperoxymethane;hydroxymethanone;rubidium(1+)
CID 57817124
Hydroperoxymethane;hydroxymethanone;yttrium
CID 60140890
Dry ice methanol water
CID 86755393
Bis(methylperoxy) carbonate
CID 139794720
Methylperoxy hydrogen carbonate
CID 146356167
Carboxyoxy methyl carbonate
CID 153829507
Carboxyoxy methoxy carbonate
CID 153903618
Carbon dioxide;molecular oxygen;tritiooxymethane;hydrate
CID 157785703
Hydrogen carbonate;methane
CID 158868110

Frequently Asked Questions

What is the IUPAC name of methoxy hydrogen carbonate?
The IUPAC name of methoxy hydrogen carbonate (CID 19018247) is methoxy hydrogen carbonate.
What is the SMILES notation for methoxy hydrogen carbonate?
The canonical SMILES for methoxy hydrogen carbonate is COOC(=O)O.
What is the InChIKey of methoxy hydrogen carbonate?
The InChIKey is QGCCYBZITYJPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O4/c1-5-6-2(3)4/h1H3,(H,3,4).
What are the key properties of methoxy hydrogen carbonate?
methoxy hydrogen carbonate has a molecular weight of 92.05 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy hydrogen carbonate is sourced from PubChem (CID 19018247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).