4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide

C11H20O3S — CID 176603600

IUPAC4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide
SMILESCC(C)=COCC1(C)CCS(=O)(=O)CC1
InChIInChI=1S/C11H20O3S/c1-10(2)8-14-9-11(3)4-6-15(12,13)7-5-11/h8H,4-7,9H2,1-3H3
InChIKeyQEWKWWQEURDLON-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.14
Rot. Bonds3

About 4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide

4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide (PubChem CID 176603600) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide
PubChem CID176603600
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide
SMILESCC(C)=COCC1(C)CCS(=O)(=O)CC1
InChIInChI=1S/C11H20O3S/c1-10(2)8-14-9-11(3)4-6-15(12,13)7-5-11/h8H,4-7,9H2,1-3H3
InChIKeyQEWKWWQEURDLON-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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

4-(Methoxymethyl)-4-methylthiane 1,1-dioxide
CID 118656769
4-(Prop-1-en-2-yloxymethyl)thiane 1,1-dioxide
CID 167172166
3-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane 1,1-dioxide
CID 176602925
4-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176602955
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]thiane
CID 176602960
4-(Cyclohexylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176602986
2-Ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane 1,1,4,4-tetraoxide
CID 176602988
4-Ethyl-4-(2-methylprop-1-enoxymethyl)thiane
CID 176603000
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]thiane 1-oxide
CID 176603005
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603045
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide?
The IUPAC name of 4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide (CID 176603600) is 4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide.
What is the SMILES notation for 4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide?
The canonical SMILES for 4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide is CC(C)=COCC1(C)CCS(=O)(=O)CC1.
What is the InChIKey of 4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide?
The InChIKey is QEWKWWQEURDLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-10(2)8-14-9-11(3)4-6-15(12,13)7-5-11/h8H,4-7,9H2,1-3H3.
What are the key properties of 4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide?
4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide has a molecular weight of 232.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide is sourced from PubChem (CID 176603600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).