4-ethenyl-1,3-dioxolane

C5H8O2 — CID 19388283

IUPAC4-ethenyl-1,3-dioxolane
SMILESC=CC1COCO1
InChIInChI=1S/C5H8O2/c1-2-5-3-6-4-7-5/h2,5H,1,3-4H2
InChIKeyGRBMFMTWBBLSRG-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.55
Rot. Bonds1

About 4-ethenyl-1,3-dioxolane

4-ethenyl-1,3-dioxolane (PubChem CID 19388283) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 4-ethenyl-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-1,3-dioxolane
PubChem CID19388283
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name4-ethenyl-1,3-dioxolane
SMILESC=CC1COCO1
InChIInChI=1S/C5H8O2/c1-2-5-3-6-4-7-5/h2,5H,1,3-4H2
InChIKeyGRBMFMTWBBLSRG-UHFFFAOYSA-N
XLogP0.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dioxolane?
The IUPAC name of 4-ethenyl-1,3-dioxolane (CID 19388283) is 4-ethenyl-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-1,3-dioxolane is C=CC1COCO1.
What is the InChIKey of 4-ethenyl-1,3-dioxolane?
The InChIKey is GRBMFMTWBBLSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-5-3-6-4-7-5/h2,5H,1,3-4H2.
What are the key properties of 4-ethenyl-1,3-dioxolane?
4-ethenyl-1,3-dioxolane has a molecular weight of 100.12 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,3-dioxolane is sourced from PubChem (CID 19388283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).