3-(1-ethenoxyethyl)thiolane 1-oxide

C8H14O2S — CID 176604192

IUPAC3-(1-ethenoxyethyl)thiolane 1-oxide
SMILESC=COC(C)C1CCS(=O)C1
InChIInChI=1S/C8H14O2S/c1-3-10-7(2)8-4-5-11(9)6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyDIQJYFYGENGGET-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.30
Rot. Bonds3

About 3-(1-ethenoxyethyl)thiolane 1-oxide

3-(1-ethenoxyethyl)thiolane 1-oxide (PubChem CID 176604192) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 3-(1-ethenoxyethyl)thiolane 1-oxide.

Molecular Properties

Compound Name3-(1-ethenoxyethyl)thiolane 1-oxide
PubChem CID176604192
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name3-(1-ethenoxyethyl)thiolane 1-oxide
SMILESC=COC(C)C1CCS(=O)C1
InChIInChI=1S/C8H14O2S/c1-3-10-7(2)8-4-5-11(9)6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyDIQJYFYGENGGET-UHFFFAOYSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-(1-Ethenoxyethyl)thiane 1,1-dioxide
CID 176603056
4-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603313
3-(1-Ethenoxyethyl)thiolane 1,1-dioxide
CID 176603456
3-(2-Ethenoxyethyl)thiolane 1-oxide
CID 176603611
2-(Ethenoxymethyl)-2-ethylthiolane 1-oxide
CID 176603638
2-(1-Ethenoxyethyl)thiolane 1-oxide
CID 176603901
3-(Ethenoxymethyl)-3-ethylthiolane 1-oxide
CID 176604013
3-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
CID 176604088
3-(Ethenoxymethyl)thiolane 1-oxide
CID 176604254
3-(2-Ethenoxyethyl)-3-methylthiolane 1-oxide
CID 176604486
3-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1-oxide
CID 176604488
3-(1-Ethenoxyethyl)thiolane
CID 176604613

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethenoxyethyl)thiolane 1-oxide?
The IUPAC name of 3-(1-ethenoxyethyl)thiolane 1-oxide (CID 176604192) is 3-(1-ethenoxyethyl)thiolane 1-oxide.
What is the SMILES notation for 3-(1-ethenoxyethyl)thiolane 1-oxide?
The canonical SMILES for 3-(1-ethenoxyethyl)thiolane 1-oxide is C=COC(C)C1CCS(=O)C1.
What is the InChIKey of 3-(1-ethenoxyethyl)thiolane 1-oxide?
The InChIKey is DIQJYFYGENGGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-3-10-7(2)8-4-5-11(9)6-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 3-(1-ethenoxyethyl)thiolane 1-oxide?
3-(1-ethenoxyethyl)thiolane 1-oxide has a molecular weight of 174.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethenoxyethyl)thiolane 1-oxide is sourced from PubChem (CID 176604192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).