4-[(Z)-prop-1-enyl]-1,3-oxathiolane

C6H10OS — CID 67191330

IUPAC4-[(Z)-prop-1-enyl]-1,3-oxathiolane
SMILESC/C=C\C1COCS1
InChIInChI=1S/C6H10OS/c1-2-3-6-4-7-5-8-6/h2-3,6H,4-5H2,1H3/b3-2-
InChIKeyYQOLXIQMRIPPIW-IHWYPQMZSA-N
MW130.21 g/mol
LogP1.65
Rot. Bonds1

About 4-[(Z)-prop-1-enyl]-1,3-oxathiolane

4-[(Z)-prop-1-enyl]-1,3-oxathiolane (PubChem CID 67191330) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 4-[(Z)-prop-1-enyl]-1,3-oxathiolane.

Molecular Properties

Compound Name4-[(Z)-prop-1-enyl]-1,3-oxathiolane
PubChem CID67191330
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name4-[(Z)-prop-1-enyl]-1,3-oxathiolane
SMILESC/C=C\C1COCS1
InChIInChI=1S/C6H10OS/c1-2-3-6-4-7-5-8-6/h2-3,6H,4-5H2,1H3/b3-2-
InChIKeyYQOLXIQMRIPPIW-IHWYPQMZSA-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-[(Z)-prop-1-enyl]-1,3-oxathiolane?
The IUPAC name of 4-[(Z)-prop-1-enyl]-1,3-oxathiolane (CID 67191330) is 4-[(Z)-prop-1-enyl]-1,3-oxathiolane.
What is the SMILES notation for 4-[(Z)-prop-1-enyl]-1,3-oxathiolane?
The canonical SMILES for 4-[(Z)-prop-1-enyl]-1,3-oxathiolane is C/C=C\C1COCS1.
What is the InChIKey of 4-[(Z)-prop-1-enyl]-1,3-oxathiolane?
The InChIKey is YQOLXIQMRIPPIW-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-3-6-4-7-5-8-6/h2-3,6H,4-5H2,1H3/b3-2-.
What are the key properties of 4-[(Z)-prop-1-enyl]-1,3-oxathiolane?
4-[(Z)-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-[(Z)-prop-1-enyl]-1,3-oxathiolane is sourced from PubChem (CID 67191330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).