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

C11H20O3S — CID 176605115

IUPAC2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
SMILESCC(C)=COCCC1CCCCS1(=O)=O
InChIInChI=1S/C11H20O3S/c1-10(2)9-14-7-6-11-5-3-4-8-15(11,12)13/h9,11H,3-8H2,1-2H3
InChIKeyONCDJAFZFOHBRC-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.28
Rot. Bonds4

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

2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide (PubChem CID 176605115) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
PubChem CID176605115
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
SMILESCC(C)=COCCC1CCCCS1(=O)=O
InChIInChI=1S/C11H20O3S/c1-10(2)9-14-7-6-11-5-3-4-8-15(11,12)13/h9,11H,3-8H2,1-2H3
InChIKeyONCDJAFZFOHBRC-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide?
The IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide (CID 176605115) is 2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide.
What is the SMILES notation for 2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide?
The canonical SMILES for 2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide is CC(C)=COCCC1CCCCS1(=O)=O.
What is the InChIKey of 2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide?
The InChIKey is ONCDJAFZFOHBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-10(2)9-14-7-6-11-5-3-4-8-15(11,12)13/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide?
2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide has a molecular weight of 232.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1,1-dioxide is sourced from PubChem (CID 176605115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).