3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide

C10H18O3S — CID 176603445

IUPAC3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
SMILESCC(C)=COCCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-9(2)7-13-5-3-10-4-6-14(11,12)8-10/h7,10H,3-6,8H2,1-2H3
InChIKeyJXLIXVXDXMNBHK-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.75
Rot. Bonds4

About 3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide

3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide (PubChem CID 176603445) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
PubChem CID176603445
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
SMILESCC(C)=COCCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-9(2)7-13-5-3-10-4-6-14(11,12)8-10/h7,10H,3-6,8H2,1-2H3
InChIKeyJXLIXVXDXMNBHK-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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1,1-dioxide
CID 176602909
3-[3-(2-Methylprop-1-enoxy)propyl]thietane 1,1-dioxide
CID 176602924
4-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176602955
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176602972
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide
CID 176603092
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176603119
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603136
3-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176603174
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide (CID 176603445) is 3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide is CC(C)=COCCC1CCS(=O)(=O)C1.
What is the InChIKey of 3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide?
The InChIKey is JXLIXVXDXMNBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-9(2)7-13-5-3-10-4-6-14(11,12)8-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide?
3-[2-(2-methylprop-1-enoxy)ethyl]thiolane 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-[2-(2-methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide is sourced from PubChem (CID 176603445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).