5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid

C6H6O5 — CID 122643657

IUPAC5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid
SMILESC=CC1OC(=O)OC1C(=O)O
InChIInChI=1S/C6H6O5/c1-2-3-4(5(7)8)11-6(9)10-3/h2-4H,1H2,(H,7,8)
InChIKeyUGDGPMZFKPPPSG-UHFFFAOYSA-N
MW158.11 g/mol
LogP0.16
Rot. Bonds2

About 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid

5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid (PubChem CID 122643657) has the molecular formula C6H6O5 and a molecular weight of 158.11 g/mol. Its IUPAC name is 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid
PubChem CID122643657
Molecular FormulaC6H6O5
Molecular Weight158.11 g/mol
Exact Mass158.02
IUPAC Name5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid
SMILESC=CC1OC(=O)OC1C(=O)O
InChIInChI=1S/C6H6O5/c1-2-3-4(5(7)8)11-6(9)10-3/h2-4H,1H2,(H,7,8)
InChIKeyUGDGPMZFKPPPSG-UHFFFAOYSA-N
XLogP0.16
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid (CID 122643657) is 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid is C=CC1OC(=O)OC1C(=O)O.
What is the InChIKey of 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid?
The InChIKey is UGDGPMZFKPPPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O5/c1-2-3-4(5(7)8)11-6(9)10-3/h2-4H,1H2,(H,7,8).
What are the key properties of 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid?
5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid has a molecular weight of 158.11 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 122643657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).