3-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide

C11H20O3S — CID 176603119

IUPAC3-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
SMILESCC(C)=COCCC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H20O3S/c1-10(2)8-14-6-5-11-4-3-7-15(12,13)9-11/h8,11H,3-7,9H2,1-2H3
InChIKeyGMNFYTMBTBFTAS-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.14
Rot. Bonds4

About 3-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide

3-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide (PubChem CID 176603119) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 3-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
PubChem CID176603119
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name3-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
SMILESCC(C)=COCCC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H20O3S/c1-10(2)8-14-6-5-11-4-3-7-15(12,13)9-11/h8,11H,3-7,9H2,1-2H3
InChIKeyGMNFYTMBTBFTAS-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'}, {'alert_name': 'Aliphatic_long_chain', '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-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176602912
4-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176602955
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiane 1-oxide
CID 176602999
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603004
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]thiane 1-oxide
CID 176603005
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603043
3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603078
3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
CID 176603083
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
CID 176603112

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide?
The IUPAC name of 3-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide (CID 176603119) is 3-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide.
What is the SMILES notation for 3-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide?
The canonical SMILES for 3-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide is CC(C)=COCCC1CCCS(=O)(=O)C1.
What is the InChIKey of 3-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide?
The InChIKey is GMNFYTMBTBFTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-10(2)8-14-6-5-11-4-3-7-15(12,13)9-11/h8,11H,3-7,9H2,1-2H3.
What are the key properties of 3-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide?
3-[2-(2-methylprop-1-enoxy)ethyl]thiane 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-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide is sourced from PubChem (CID 176603119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).