4-ethenyl-1,3-oxathiolane

C5H8OS — CID 67189224

IUPAC4-ethenyl-1,3-oxathiolane
SMILESC=CC1COCS1
InChIInChI=1S/C5H8OS/c1-2-5-3-6-4-7-5/h2,5H,1,3-4H2
InChIKeySJAVUCYRCNQNBU-UHFFFAOYSA-N
MW116.19 g/mol
LogP1.26
Rot. Bonds1

About 4-ethenyl-1,3-oxathiolane

4-ethenyl-1,3-oxathiolane (PubChem CID 67189224) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 4-ethenyl-1,3-oxathiolane.

Molecular Properties

Compound Name4-ethenyl-1,3-oxathiolane
PubChem CID67189224
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name4-ethenyl-1,3-oxathiolane
SMILESC=CC1COCS1
InChIInChI=1S/C5H8OS/c1-2-5-3-6-4-7-5/h2,5H,1,3-4H2
InChIKeySJAVUCYRCNQNBU-UHFFFAOYSA-N
XLogP1.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.26
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-oxathiolane?
The IUPAC name of 4-ethenyl-1,3-oxathiolane (CID 67189224) is 4-ethenyl-1,3-oxathiolane.
What is the SMILES notation for 4-ethenyl-1,3-oxathiolane?
The canonical SMILES for 4-ethenyl-1,3-oxathiolane is C=CC1COCS1.
What is the InChIKey of 4-ethenyl-1,3-oxathiolane?
The InChIKey is SJAVUCYRCNQNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-2-5-3-6-4-7-5/h2,5H,1,3-4H2.
What are the key properties of 4-ethenyl-1,3-oxathiolane?
4-ethenyl-1,3-oxathiolane has a molecular weight of 116.19 g/mol, XLogP of 1.26, 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-oxathiolane is sourced from PubChem (CID 67189224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).