2-(ethenoxymethyl)-2-methylthiolane 1-oxide

C8H14O2S — CID 176605060

IUPAC2-(ethenoxymethyl)-2-methylthiolane 1-oxide
SMILESC=COCC1(C)CCCS1=O
InChIInChI=1S/C8H14O2S/c1-3-10-7-8(2)5-4-6-11(8)9/h3H,1,4-7H2,2H3
InChIKeyZETLESFTDYKHJQ-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.45
Rot. Bonds3

About 2-(ethenoxymethyl)-2-methylthiolane 1-oxide

2-(ethenoxymethyl)-2-methylthiolane 1-oxide (PubChem CID 176605060) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-methylthiolane 1-oxide.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-methylthiolane 1-oxide
PubChem CID176605060
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name2-(ethenoxymethyl)-2-methylthiolane 1-oxide
SMILESC=COCC1(C)CCCS1=O
InChIInChI=1S/C8H14O2S/c1-3-10-7-8(2)5-4-6-11(8)9/h3H,1,4-7H2,2H3
InChIKeyZETLESFTDYKHJQ-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
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

2-(3-Ethenoxypropyl)-2-ethylthiolane 1-oxide
CID 176603096
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603136
3-(3-Ethenoxypropyl)thiolane 1-oxide
CID 176603290
3-(2-Ethenoxyethyl)thiolane 1-oxide
CID 176603611
2-(Ethenoxymethyl)-2-ethylthiolane 1-oxide
CID 176603638
3-(Ethenoxymethyl)-3-methylthiolane 1-oxide
CID 176603677
2-(2-Ethenoxyethyl)-2-methylthiolane 1,1-dioxide
CID 176603800
2-(Ethenoxymethyl)-2-methylthiolane 1,1-dioxide
CID 176603812
2-(1-Ethenoxyethyl)thiolane 1-oxide
CID 176603901
3-(Ethenoxymethyl)-3-ethylthiolane 1-oxide
CID 176604013
3-(2-Ethenoxyethyl)-3-methylthiolane 1,1-dioxide
CID 176604170
3-(1-Ethenoxyethyl)thiolane 1-oxide
CID 176604192

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-methylthiolane 1-oxide?
The IUPAC name of 2-(ethenoxymethyl)-2-methylthiolane 1-oxide (CID 176605060) is 2-(ethenoxymethyl)-2-methylthiolane 1-oxide.
What is the SMILES notation for 2-(ethenoxymethyl)-2-methylthiolane 1-oxide?
The canonical SMILES for 2-(ethenoxymethyl)-2-methylthiolane 1-oxide is C=COCC1(C)CCCS1=O.
What is the InChIKey of 2-(ethenoxymethyl)-2-methylthiolane 1-oxide?
The InChIKey is ZETLESFTDYKHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-3-10-7-8(2)5-4-6-11(8)9/h3H,1,4-7H2,2H3.
What are the key properties of 2-(ethenoxymethyl)-2-methylthiolane 1-oxide?
2-(ethenoxymethyl)-2-methylthiolane 1-oxide has a molecular weight of 174.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-methylthiolane 1-oxide is sourced from PubChem (CID 176605060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).