4-prop-1-enyl-1,3-oxathiolane

C6H10OS — CID 67191331

IUPAC4-prop-1-enyl-1,3-oxathiolane
SMILESCC=CC1COCS1
InChIInChI=1S/C6H10OS/c1-2-3-6-4-7-5-8-6/h2-3,6H,4-5H2,1H3
InChIKeyYQOLXIQMRIPPIW-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.65
Rot. Bonds1

About 4-prop-1-enyl-1,3-oxathiolane

4-prop-1-enyl-1,3-oxathiolane (PubChem CID 67191331) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 4-prop-1-enyl-1,3-oxathiolane.

Molecular Properties

Compound Name4-prop-1-enyl-1,3-oxathiolane
PubChem CID67191331
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name4-prop-1-enyl-1,3-oxathiolane
SMILESCC=CC1COCS1
InChIInChI=1S/C6H10OS/c1-2-3-6-4-7-5-8-6/h2-3,6H,4-5H2,1H3
InChIKeyYQOLXIQMRIPPIW-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.65
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-prop-1-enyl-1,3-oxathiolane?
The IUPAC name of 4-prop-1-enyl-1,3-oxathiolane (CID 67191331) is 4-prop-1-enyl-1,3-oxathiolane.
What is the SMILES notation for 4-prop-1-enyl-1,3-oxathiolane?
The canonical SMILES for 4-prop-1-enyl-1,3-oxathiolane is CC=CC1COCS1.
What is the InChIKey of 4-prop-1-enyl-1,3-oxathiolane?
The InChIKey is YQOLXIQMRIPPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-3-6-4-7-5-8-6/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-prop-1-enyl-1,3-oxathiolane?
4-prop-1-enyl-1,3-oxathiolane has a molecular weight of 130.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-enyl-1,3-oxathiolane is sourced from PubChem (CID 67191331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).