ethenyl 2,2-dihydroxyacetate

C4H6O4 — CID 172859398

IUPACethenyl 2,2-dihydroxyacetate
SMILESC=COC(=O)C(O)O
InChIInChI=1S/C4H6O4/c1-2-8-4(7)3(5)6/h2-3,5-6H,1H2
InChIKeyZDODQHXMIGWHTH-UHFFFAOYSA-N
MW118.09 g/mol
LogP-1.02
Rot. Bonds2

About ethenyl 2,2-dihydroxyacetate

ethenyl 2,2-dihydroxyacetate (PubChem CID 172859398) has the molecular formula C4H6O4 and a molecular weight of 118.09 g/mol. Its IUPAC name is ethenyl 2,2-dihydroxyacetate.

Molecular Properties

Compound Nameethenyl 2,2-dihydroxyacetate
PubChem CID172859398
Molecular FormulaC4H6O4
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Nameethenyl 2,2-dihydroxyacetate
SMILESC=COC(=O)C(O)O
InChIInChI=1S/C4H6O4/c1-2-8-4(7)3(5)6/h2-3,5-6H,1H2
InChIKeyZDODQHXMIGWHTH-UHFFFAOYSA-N
XLogP-1.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethenyl 2-aminopropanoate
CID 23374910
ethenyl 3-chloro-2-(1-chloroethenyl)but-3-enoate
CID 174935950
3-ethenoxy-2-methyl-3-oxopropanoic acid
CID 139933111
ethenyl 2,2-diacetyloxyacetate
CID 88828479
ethenyl 3,3,3-trifluoro-2-methylpropanoate
CID 174926990
bis(ethenyl) carbonate;ethene
CID 87073622
sodium;ethenyl carbamate;hydride
CID 174882073
ethenyl (2S)-2-amino-4-methylpentanoate
CID 57471579
[1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate
CID 163510228
ethenyl 4-hydroxy-2-methylbutanoate
CID 174580533
azane;ethenyl 2-(diaminomethylideneamino)but-3-enoate
CID 174932643
ethenyl prop-2-enoate;urea
CID 146453811

Frequently Asked Questions

What is the IUPAC name of ethenyl 2,2-dihydroxyacetate?
The IUPAC name of ethenyl 2,2-dihydroxyacetate (CID 172859398) is ethenyl 2,2-dihydroxyacetate.
What is the SMILES notation for ethenyl 2,2-dihydroxyacetate?
The canonical SMILES for ethenyl 2,2-dihydroxyacetate is C=COC(=O)C(O)O.
What is the InChIKey of ethenyl 2,2-dihydroxyacetate?
The InChIKey is ZDODQHXMIGWHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4/c1-2-8-4(7)3(5)6/h2-3,5-6H,1H2.
What are the key properties of ethenyl 2,2-dihydroxyacetate?
ethenyl 2,2-dihydroxyacetate has a molecular weight of 118.09 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2,2-dihydroxyacetate is sourced from PubChem (CID 172859398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).