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

C10H18O3S — CID 176604295

IUPAC3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide
SMILESCCC1(COC=C(C)C)CS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-4-10(6-13-5-9(2)3)7-14(11,12)8-10/h5H,4,6-8H2,1-3H3
InChIKeyGYLIYVIMHTXSAS-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.75
Rot. Bonds4

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

3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide (PubChem CID 176604295) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide
PubChem CID176604295
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide
SMILESCCC1(COC=C(C)C)CS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-4-10(6-13-5-9(2)3)7-14(11,12)8-10/h5H,4,6-8H2,1-3H3
InChIKeyGYLIYVIMHTXSAS-UHFFFAOYSA-N
XLogP1.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.75
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

3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1-oxide
CID 176602917
3-[3-(2-Methylprop-1-enoxy)propyl]thietane 1,1-dioxide
CID 176602924
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thietane 1,1-dioxide
CID 176602929
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thietane 1,1-dioxide
CID 176603093
3-(2-Ethenoxyethyl)-3-methylthietane 1,1-dioxide
CID 176603134
3-Ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide
CID 176603357
3-Methyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide
CID 176603392
3-(Ethenoxymethyl)-3-ethylthietane 1,1-dioxide
CID 176603487
3-Methyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide
CID 176603504
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]thietane 1,1-dioxide
CID 176603508
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thietane 1,1-dioxide
CID 176603577
4-Methyl-4-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide
CID 176603600

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide?
The IUPAC name of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide (CID 176604295) is 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide.
What is the SMILES notation for 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide?
The canonical SMILES for 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide is CCC1(COC=C(C)C)CS(=O)(=O)C1.
What is the InChIKey of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide?
The InChIKey is GYLIYVIMHTXSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-4-10(6-13-5-9(2)3)7-14(11,12)8-10/h5H,4,6-8H2,1-3H3.
What are the key properties of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide?
3-ethyl-3-(2-methylprop-1-enoxymethyl)thietane 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 1.75, 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)thietane 1,1-dioxide is sourced from PubChem (CID 176604295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).