4-ethylidenedioxolane

C5H8O2 — CID 175249305

IUPAC4-ethylidenedioxolane
SMILESCC=C1COOC1
InChIInChI=1S/C5H8O2/c1-2-5-3-6-7-4-5/h2H,3-4H2,1H3
InChIKeyZLHDZHFVNUZBHA-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.89
Rot. Bonds

About 4-ethylidenedioxolane

4-ethylidenedioxolane (PubChem CID 175249305) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 4-ethylidenedioxolane.

Molecular Properties

Compound Name4-ethylidenedioxolane
PubChem CID175249305
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name4-ethylidenedioxolane
SMILESCC=C1COOC1
InChIInChI=1S/C5H8O2/c1-2-5-3-6-7-4-5/h2H,3-4H2,1H3
InChIKeyZLHDZHFVNUZBHA-UHFFFAOYSA-N
XLogP0.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylidenedioxolane?
The IUPAC name of 4-ethylidenedioxolane (CID 175249305) is 4-ethylidenedioxolane.
What is the SMILES notation for 4-ethylidenedioxolane?
The canonical SMILES for 4-ethylidenedioxolane is CC=C1COOC1.
What is the InChIKey of 4-ethylidenedioxolane?
The InChIKey is ZLHDZHFVNUZBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-5-3-6-7-4-5/h2H,3-4H2,1H3.
What are the key properties of 4-ethylidenedioxolane?
4-ethylidenedioxolane has a molecular weight of 100.12 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidenedioxolane is sourced from PubChem (CID 175249305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).