ethenoxymethyl hydrogen carbonate

C4H6O4 — CID 118689844

IUPACethenoxymethyl hydrogen carbonate
SMILESC=COCOC(=O)O
InChIInChI=1S/C4H6O4/c1-2-7-3-8-4(5)6/h2H,1,3H2,(H,5,6)
InChIKeyFLUDAAXZQZNKIJ-UHFFFAOYSA-N
MW118.09 g/mol
LogP0.80
Rot. Bonds3

About ethenoxymethyl hydrogen carbonate

ethenoxymethyl hydrogen carbonate (PubChem CID 118689844) has the molecular formula C4H6O4 and a molecular weight of 118.09 g/mol. Its IUPAC name is ethenoxymethyl hydrogen carbonate.

Molecular Properties

Compound Nameethenoxymethyl hydrogen carbonate
PubChem CID118689844
Molecular FormulaC4H6O4
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Nameethenoxymethyl hydrogen carbonate
SMILESC=COCOC(=O)O
InChIInChI=1S/C4H6O4/c1-2-7-3-8-4(5)6/h2H,1,3H2,(H,5,6)
InChIKeyFLUDAAXZQZNKIJ-UHFFFAOYSA-N
XLogP0.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethenoxymethyl acetate
CID 54090433
ethenoxymethyl 2-oxo-2-phenylacetate
CID 89488729
2-aminoacetic acid;2-ethenoxyethanamine
CID 174772659
(E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid
CID 139924951
penta-2,4-dienyl hydrogen carbonate
CID 151360859
(Z)-but-2-enedioic acid;ethenoxyethane
CID 87901809
acetic acid;2-ethenoxyethanol
CID 71400985
tris(2-ethenoxyethyl) cyclohexane-1,3,5-tricarboxylate
CID 58220517
ethenyl hydrogen carbonate;methane
CID 175034349
lithium 2-ethenoxyacetate
CID 172773108
5-ethenoxypent-2-enoic acid
CID 173182638
buta-1,3-diene;butyl hydrogen carbonate
CID 87173183

Frequently Asked Questions

What is the IUPAC name of ethenoxymethyl hydrogen carbonate?
The IUPAC name of ethenoxymethyl hydrogen carbonate (CID 118689844) is ethenoxymethyl hydrogen carbonate.
What is the SMILES notation for ethenoxymethyl hydrogen carbonate?
The canonical SMILES for ethenoxymethyl hydrogen carbonate is C=COCOC(=O)O.
What is the InChIKey of ethenoxymethyl hydrogen carbonate?
The InChIKey is FLUDAAXZQZNKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4/c1-2-7-3-8-4(5)6/h2H,1,3H2,(H,5,6).
What are the key properties of ethenoxymethyl hydrogen carbonate?
ethenoxymethyl hydrogen carbonate has a molecular weight of 118.09 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxymethyl hydrogen carbonate is sourced from PubChem (CID 118689844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).