3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide

C9H16O2S — CID 176604486

IUPAC3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide
SMILESC=COCCC1(C)CCS(=O)C1
InChIInChI=1S/C9H16O2S/c1-3-11-6-4-9(2)5-7-12(10)8-9/h3H,1,4-8H2,2H3
InChIKeyQMPFQSFTKUQTGX-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.70
Rot. Bonds4

About 3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide

3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide (PubChem CID 176604486) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide.

Molecular Properties

Compound Name3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide
PubChem CID176604486
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide
SMILESC=COCCC1(C)CCS(=O)C1
InChIInChI=1S/C9H16O2S/c1-3-11-6-4-9(2)5-7-12(10)8-9/h3H,1,4-8H2,2H3
InChIKeyQMPFQSFTKUQTGX-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Ethenoxypropyl)-2-ethylthiolane 1-oxide
CID 176603096
3-(3-Ethenoxypropyl)thiolane 1-oxide
CID 176603290
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176603361
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide
CID 176603404
3-(Ethenoxymethyl)-3-methylthiolane 1,1-dioxide
CID 176603416
3-(Ethenoxymethyl)-3-ethylthiane 1-oxide
CID 176603530
4-(Ethenoxymethyl)-4-methylthiane 1-oxide
CID 176603579
4-(Ethenoxymethyl)-4-ethylthiane 1-oxide
CID 176603590
3-(2-Ethenoxyethyl)thiolane 1-oxide
CID 176603611
2-(Ethenoxymethyl)-2-ethylthiolane 1-oxide
CID 176603638
3-(Ethenoxymethyl)-3-methylthiolane 1-oxide
CID 176603677
4-(3-Ethenoxypropyl)-4-ethylthiane 1-oxide
CID 176603733

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide?
The IUPAC name of 3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide (CID 176604486) is 3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide.
What is the SMILES notation for 3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide?
The canonical SMILES for 3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide is C=COCCC1(C)CCS(=O)C1.
What is the InChIKey of 3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide?
The InChIKey is QMPFQSFTKUQTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-3-11-6-4-9(2)5-7-12(10)8-9/h3H,1,4-8H2,2H3.
What are the key properties of 3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide?
3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide has a molecular weight of 188.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenoxyethyl)-3-methylthiolane 1-oxide is sourced from PubChem (CID 176604486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).