3-ethenyl-1,4-oxathiane

C6H10OS — CID 57084995

IUPAC3-ethenyl-1,4-oxathiane
SMILESC=CC1COCCS1
InChIInChI=1S/C6H10OS/c1-2-6-5-7-3-4-8-6/h2,6H,1,3-5H2
InChIKeyFBAHJPUWWNLVFC-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.30
Rot. Bonds1

About 3-ethenyl-1,4-oxathiane

3-ethenyl-1,4-oxathiane (PubChem CID 57084995) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 3-ethenyl-1,4-oxathiane.

Molecular Properties

Compound Name3-ethenyl-1,4-oxathiane
PubChem CID57084995
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name3-ethenyl-1,4-oxathiane
SMILESC=CC1COCCS1
InChIInChI=1S/C6H10OS/c1-2-6-5-7-3-4-8-6/h2,6H,1,3-5H2
InChIKeyFBAHJPUWWNLVFC-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
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 3-ethenyl-1,4-oxathiane?
The IUPAC name of 3-ethenyl-1,4-oxathiane (CID 57084995) is 3-ethenyl-1,4-oxathiane.
What is the SMILES notation for 3-ethenyl-1,4-oxathiane?
The canonical SMILES for 3-ethenyl-1,4-oxathiane is C=CC1COCCS1.
What is the InChIKey of 3-ethenyl-1,4-oxathiane?
The InChIKey is FBAHJPUWWNLVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-6-5-7-3-4-8-6/h2,6H,1,3-5H2.
What are the key properties of 3-ethenyl-1,4-oxathiane?
3-ethenyl-1,4-oxathiane has a molecular weight of 130.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,4-oxathiane is sourced from PubChem (CID 57084995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).