4-ethenyl-1,3-dioxolan-2-one

C5H6O3 — CID 2735038

IUPAC4-ethenyl-1,3-dioxolan-2-one
SMILESC=CC1COC(=O)O1
InChIInChI=1S/C5H6O3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2
InChIKeyBJWMSGRKJIOCNR-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.71
Rot. Bonds1

About 4-ethenyl-1,3-dioxolan-2-one

4-ethenyl-1,3-dioxolan-2-one (PubChem CID 2735038) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is 4-ethenyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethenyl-1,3-dioxolan-2-one
PubChem CID2735038
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name4-ethenyl-1,3-dioxolan-2-one
SMILESC=CC1COC(=O)O1
InChIInChI=1S/C5H6O3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2
InChIKeyBJWMSGRKJIOCNR-UHFFFAOYSA-N
XLogP0.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-ethenyl-1,3-dioxolan-2-one?
The IUPAC name of 4-ethenyl-1,3-dioxolan-2-one (CID 2735038) is 4-ethenyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethenyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethenyl-1,3-dioxolan-2-one is C=CC1COC(=O)O1.
What is the InChIKey of 4-ethenyl-1,3-dioxolan-2-one?
The InChIKey is BJWMSGRKJIOCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2.
What are the key properties of 4-ethenyl-1,3-dioxolan-2-one?
4-ethenyl-1,3-dioxolan-2-one has a molecular weight of 114.10 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,3-dioxolan-2-one is sourced from PubChem (CID 2735038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).