2-(ethenoxymethyl)-2-ethylthiolane 1-oxide

C9H16O2S — CID 176603638

IUPAC2-(ethenoxymethyl)-2-ethylthiolane 1-oxide
SMILESC=COCC1(CC)CCCS1=O
InChIInChI=1S/C9H16O2S/c1-3-9(8-11-4-2)6-5-7-12(9)10/h4H,2-3,5-8H2,1H3
InChIKeyHSMGHWYAZOUSKO-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.84
Rot. Bonds4

About 2-(ethenoxymethyl)-2-ethylthiolane 1-oxide

2-(ethenoxymethyl)-2-ethylthiolane 1-oxide (PubChem CID 176603638) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-ethylthiolane 1-oxide.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-ethylthiolane 1-oxide
PubChem CID176603638
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name2-(ethenoxymethyl)-2-ethylthiolane 1-oxide
SMILESC=COCC1(CC)CCCS1=O
InChIInChI=1S/C9H16O2S/c1-3-9(8-11-4-2)6-5-7-12(9)10/h4H,2-3,5-8H2,1H3
InChIKeyHSMGHWYAZOUSKO-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.84
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

2-Ethyl-2-(2-methoxyethyl)thiolane 1,1-dioxide
CID 176368992
2-(3-Ethenoxypropyl)-2-ethylthiolane 1-oxide
CID 176603096
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
3-(3-Ethenoxypropyl)thiolane 1-oxide
CID 176603290
3-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603311
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiolane 1-oxide
CID 176603365
2-(Ethenoxymethyl)-2-ethylthiane 1-oxide
CID 176603484
3-(Ethenoxymethyl)-3-ethylthiane 1-oxide
CID 176603530
2-(3-Ethenoxypropyl)-2-ethylthiolane 1,1-dioxide
CID 176603566
3-(2-Ethenoxyethyl)thiolane 1-oxide
CID 176603611
3-[3-(2-Methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603660
4-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603702

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-ethylthiolane 1-oxide?
The IUPAC name of 2-(ethenoxymethyl)-2-ethylthiolane 1-oxide (CID 176603638) is 2-(ethenoxymethyl)-2-ethylthiolane 1-oxide.
What is the SMILES notation for 2-(ethenoxymethyl)-2-ethylthiolane 1-oxide?
The canonical SMILES for 2-(ethenoxymethyl)-2-ethylthiolane 1-oxide is C=COCC1(CC)CCCS1=O.
What is the InChIKey of 2-(ethenoxymethyl)-2-ethylthiolane 1-oxide?
The InChIKey is HSMGHWYAZOUSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-3-9(8-11-4-2)6-5-7-12(9)10/h4H,2-3,5-8H2,1H3.
What are the key properties of 2-(ethenoxymethyl)-2-ethylthiolane 1-oxide?
2-(ethenoxymethyl)-2-ethylthiolane 1-oxide has a molecular weight of 188.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-ethylthiolane 1-oxide is sourced from PubChem (CID 176603638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).