2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide

C9H16O3S — CID 176603800

IUPAC2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide
SMILESC=COCCC1(C)CCCS1(=O)=O
InChIInChI=1S/C9H16O3S/c1-3-12-7-6-9(2)5-4-8-13(9,10)11/h3H,1,4-8H2,2H3
InChIKeyGLCUWKPPDWVIRJ-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.50
Rot. Bonds4

About 2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide

2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide (PubChem CID 176603800) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide
PubChem CID176603800
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide
SMILESC=COCCC1(C)CCCS1(=O)=O
InChIInChI=1S/C9H16O3S/c1-3-12-7-6-9(2)5-4-8-13(9,10)11/h3H,1,4-8H2,2H3
InChIKeyGLCUWKPPDWVIRJ-UHFFFAOYSA-N
XLogP1.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-Ethylhexoxy)thiolane 1,1-dioxide
CID 70529318
2-(2-Methoxyethyl)-3-methylthiolane 1,1-dioxide
CID 168955034
2-Ethyl-2-(2-methoxyethyl)thiolane 1,1-dioxide
CID 176368992
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1,1-dioxide
CID 176602909
2-(3-Ethenoxypropyl)-2-ethylthiolane 1-oxide
CID 176603096
2-(2-Ethenoxyethyl)-2-methylthiane 1,1-dioxide
CID 176603113
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603136
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
3-(3-Ethenoxypropyl)thiolane 1-oxide
CID 176603290
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1,1-dioxide
CID 176603418
2-(Ethenoxymethyl)-2-ethylthiane 1-oxide
CID 176603484
2-(Ethenoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603497

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide?
The IUPAC name of 2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide (CID 176603800) is 2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide.
What is the SMILES notation for 2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide?
The canonical SMILES for 2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide is C=COCCC1(C)CCCS1(=O)=O.
What is the InChIKey of 2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide?
The InChIKey is GLCUWKPPDWVIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c1-3-12-7-6-9(2)5-4-8-13(9,10)11/h3H,1,4-8H2,2H3.
What are the key properties of 2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide?
2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide has a molecular weight of 204.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethyl)-2-methylthiolane 1,1-dioxide is sourced from PubChem (CID 176603800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).