2-ethenyl-1,4-oxathiane 4,4-dioxide

C6H10O3S — CID 21102854

IUPAC2-ethenyl-1,4-oxathiane 4,4-dioxide
SMILESC=CC1CS(=O)(=O)CCO1
InChIInChI=1S/C6H10O3S/c1-2-6-5-10(7,8)4-3-9-6/h2,6H,1,3-5H2
InChIKeyNNHNYHQPEFBYSM-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.01
Rot. Bonds1

About 2-ethenyl-1,4-oxathiane 4,4-dioxide

2-ethenyl-1,4-oxathiane 4,4-dioxide (PubChem CID 21102854) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-ethenyl-1,4-oxathiane 4,4-dioxide.

Molecular Properties

Compound Name2-ethenyl-1,4-oxathiane 4,4-dioxide
PubChem CID21102854
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name2-ethenyl-1,4-oxathiane 4,4-dioxide
SMILESC=CC1CS(=O)(=O)CCO1
InChIInChI=1S/C6H10O3S/c1-2-6-5-10(7,8)4-3-9-6/h2,6H,1,3-5H2
InChIKeyNNHNYHQPEFBYSM-UHFFFAOYSA-N
XLogP-0.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thiophene, tetrahydro-3-(2-propenyloxy)-, 1,1-dioxide
CID 2801708
Thiophene, 2,3-dihydro-3-methoxy-, 1,1-dioxide
CID 43827502
3-Butoxy-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 129789987
3-But-3-en-2-yloxythiolane 1,1-dioxide
CID 70631354
2-Prop-2-enyl-1,4-oxathiane 4,4-dioxide
CID 21102830
2-Ethenyl-1,4-oxathiane
CID 67652907
4-methoxy-3,4-dihydro-2H-thiopyran 1,1-dioxide
CID 123860694
(3R)-3-prop-2-enoxythiolane 1,1-dioxide
CID 7059100
(3S)-3-prop-2-enoxythiolane 1,1-dioxide
CID 7059101
(3S)-3-methoxy-2,3-dihydrothiophene 1,1-dioxide
CID 92261393
(3R)-3-methoxy-2,3-dihydrothiophene 1,1-dioxide
CID 92261398
3-Cyclopropoxy-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 165489830

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,4-oxathiane 4,4-dioxide?
The IUPAC name of 2-ethenyl-1,4-oxathiane 4,4-dioxide (CID 21102854) is 2-ethenyl-1,4-oxathiane 4,4-dioxide.
What is the SMILES notation for 2-ethenyl-1,4-oxathiane 4,4-dioxide?
The canonical SMILES for 2-ethenyl-1,4-oxathiane 4,4-dioxide is C=CC1CS(=O)(=O)CCO1.
What is the InChIKey of 2-ethenyl-1,4-oxathiane 4,4-dioxide?
The InChIKey is NNHNYHQPEFBYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-2-6-5-10(7,8)4-3-9-6/h2,6H,1,3-5H2.
What are the key properties of 2-ethenyl-1,4-oxathiane 4,4-dioxide?
2-ethenyl-1,4-oxathiane 4,4-dioxide has a molecular weight of 162.21 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,4-oxathiane 4,4-dioxide is sourced from PubChem (CID 21102854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).