2-(2-ethenoxyethyl)thiolane 1,1-dioxide

C8H14O3S — CID 176603874

IUPAC2-(2-ethenoxyethyl)thiolane 1,1-dioxide
SMILESC=COCCC1CCCS1(=O)=O
InChIInChI=1S/C8H14O3S/c1-2-11-6-5-8-4-3-7-12(8,9)10/h2,8H,1,3-7H2
InChIKeyZEZHOCSETCNPNL-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.11
Rot. Bonds4

About 2-(2-ethenoxyethyl)thiolane 1,1-dioxide

2-(2-ethenoxyethyl)thiolane 1,1-dioxide (PubChem CID 176603874) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 2-(2-ethenoxyethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-ethenoxyethyl)thiolane 1,1-dioxide
PubChem CID176603874
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name2-(2-ethenoxyethyl)thiolane 1,1-dioxide
SMILESC=COCCC1CCCS1(=O)=O
InChIInChI=1S/C8H14O3S/c1-2-11-6-5-8-4-3-7-12(8,9)10/h2,8H,1,3-7H2
InChIKeyZEZHOCSETCNPNL-UHFFFAOYSA-N
XLogP1.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.11
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-(2-Methoxyethyl)thiolane 1,1-dioxide
CID 53919572
2-(1-Ethenoxyethyl)thiolane 1,1-dioxide
CID 176602943
2-(2-Ethenoxyethyl)-2-methylthiolane 1,1-dioxide
CID 176603800
2-(Ethenoxymethyl)-2-methylthiolane 1,1-dioxide
CID 176603812
2-(Ethenoxymethyl)thiane 1-oxide
CID 176603837
2-(1-Ethenoxyethyl)thiolane 1-oxide
CID 176603901
2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1,1-dioxide
CID 176604072
2-(Ethenoxymethyl)thiolane 1,1-dioxide
CID 176604094
2-(3-Ethenoxypropyl)thiolane 1-oxide
CID 176604127
2-(3-Ethenoxypropyl)thiolane 1,1-dioxide
CID 176604129
2-(2-Ethenoxyethyl)thiolane
CID 176604303
2-(Ethenoxymethyl)-2-ethylthiolane 1,1-dioxide
CID 176604313

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethyl)thiolane 1,1-dioxide?
The IUPAC name of 2-(2-ethenoxyethyl)thiolane 1,1-dioxide (CID 176603874) is 2-(2-ethenoxyethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(2-ethenoxyethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(2-ethenoxyethyl)thiolane 1,1-dioxide is C=COCCC1CCCS1(=O)=O.
What is the InChIKey of 2-(2-ethenoxyethyl)thiolane 1,1-dioxide?
The InChIKey is ZEZHOCSETCNPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-2-11-6-5-8-4-3-7-12(8,9)10/h2,8H,1,3-7H2.
What are the key properties of 2-(2-ethenoxyethyl)thiolane 1,1-dioxide?
2-(2-ethenoxyethyl)thiolane 1,1-dioxide has a molecular weight of 190.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 176603874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).