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

C11H20O3S — CID 176603796

IUPAC2-[1-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
SMILESCC(C)=COC(C)C1CCCCS1(=O)=O
InChIInChI=1S/C11H20O3S/c1-9(2)8-14-10(3)11-6-4-5-7-15(11,12)13/h8,10-11H,4-7H2,1-3H3
InChIKeyLHDVTNWCJHEVMJ-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.28
Rot. Bonds3

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

2-[1-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide (PubChem CID 176603796) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-[1-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name2-[1-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
PubChem CID176603796
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name2-[1-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
SMILESCC(C)=COC(C)C1CCCCS1(=O)=O
InChIInChI=1S/C11H20O3S/c1-9(2)8-14-10(3)11-6-4-5-7-15(11,12)13/h8,10-11H,4-7H2,1-3H3
InChIKeyLHDVTNWCJHEVMJ-UHFFFAOYSA-N
XLogP2.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.28
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-[3-(2-Methylprop-2-enylsulfonyl)propyl]oxane
CID 167040693
2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176602954
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176602972
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
2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603009
2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
CID 176603109
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176603119
2-[1-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603147
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiane 1,1-dioxide
CID 176603293
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
CID 176603372
2-(2-Methylprop-1-enoxymethyl)thiocane 1,1-dioxide
CID 176603393

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide?
The IUPAC name of 2-[1-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide (CID 176603796) is 2-[1-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide.
What is the SMILES notation for 2-[1-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide?
The canonical SMILES for 2-[1-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide is CC(C)=COC(C)C1CCCCS1(=O)=O.
What is the InChIKey of 2-[1-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide?
The InChIKey is LHDVTNWCJHEVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-9(2)8-14-10(3)11-6-4-5-7-15(11,12)13/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 2-[1-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide?
2-[1-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide has a molecular weight of 232.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide is sourced from PubChem (CID 176603796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).