3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide

C11H20O3S — CID 176603357

IUPAC3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide
SMILESCCC1(COC=C(C)C)CCS(=O)(=O)C1
InChIInChI=1S/C11H20O3S/c1-4-11(8-14-7-10(2)3)5-6-15(12,13)9-11/h7H,4-6,8-9H2,1-3H3
InChIKeyGRYXDWSLNURAKX-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.14
Rot. Bonds4

About 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide

3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide (PubChem CID 176603357) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide
PubChem CID176603357
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide
SMILESCCC1(COC=C(C)C)CCS(=O)(=O)C1
InChIInChI=1S/C11H20O3S/c1-4-11(8-14-7-10(2)3)5-6-15(12,13)9-11/h7H,4-6,8-9H2,1-3H3
InChIKeyGRYXDWSLNURAKX-UHFFFAOYSA-N
XLogP2.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1,1-dioxide
CID 176602909
3-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane 1,1-dioxide
CID 176602925
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide
CID 176602963
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603008
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane 1,1-dioxide
CID 176603093
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide
CID 176603101
3-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176603174
4-(Cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176603248
3-(2-Methylprop-1-enoxymethyl)thiolane 1-oxide
CID 176603330
2-(2-Methylprop-1-enoxymethyl)thiolane 1,1-dioxide
CID 176603340
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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide?
The IUPAC name of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide (CID 176603357) is 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide?
The canonical SMILES for 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide is CCC1(COC=C(C)C)CCS(=O)(=O)C1.
What is the InChIKey of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide?
The InChIKey is GRYXDWSLNURAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-4-11(8-14-7-10(2)3)5-6-15(12,13)9-11/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide?
3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide has a molecular weight of 232.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 176603357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).