3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide

C11H20O2S — CID 176604399

IUPAC3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide
SMILESCCC1(COC=C(C)C)CCS(=O)C1
InChIInChI=1S/C11H20O2S/c1-4-11(5-6-14(12)9-11)8-13-7-10(2)3/h7H,4-6,8-9H2,1-3H3
InChIKeyHMYJEOZFLCTDIJ-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.48
Rot. Bonds4

About 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide

3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide (PubChem CID 176604399) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide.

Molecular Properties

Compound Name3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide
PubChem CID176604399
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide
SMILESCCC1(COC=C(C)C)CCS(=O)C1
InChIInChI=1S/C11H20O2S/c1-4-11(5-6-14(12)9-11)8-13-7-10(2)3/h7H,4-6,8-9H2,1-3H3
InChIKeyHMYJEOZFLCTDIJ-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane 1,1-dioxide
CID 176602925
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603008
3-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176603174
3-Methyl-3-(2-methylprop-1-enoxymethyl)thiolane
CID 176603213
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1-oxide
CID 176603216
4-(2-Methylprop-1-enoxymethyl)thiane 1-oxide
CID 176603252
3-(2-Methylprop-1-enoxymethyl)thiolane 1-oxide
CID 176603330
2-(2-Methylprop-1-enoxymethyl)thiolane 1,1-dioxide
CID 176603340
3-Ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1,1-dioxide
CID 176603357
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176603361
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1-oxide
CID 176603404
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane 1,1-dioxide
CID 176603418

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide?
The IUPAC name of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide (CID 176604399) is 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide.
What is the SMILES notation for 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide?
The canonical SMILES for 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide is CCC1(COC=C(C)C)CCS(=O)C1.
What is the InChIKey of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide?
The InChIKey is HMYJEOZFLCTDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-4-11(5-6-14(12)9-11)8-13-7-10(2)3/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide?
3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide has a molecular weight of 216.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-methylprop-1-enoxymethyl)thiolane 1-oxide is sourced from PubChem (CID 176604399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).