2-(ethenoxymethyl)-2-ethylthiane 1-oxide

C10H18O2S — CID 176603484

IUPAC2-(ethenoxymethyl)-2-ethylthiane 1-oxide
SMILESC=COCC1(CC)CCCCS1=O
InChIInChI=1S/C10H18O2S/c1-3-10(9-12-4-2)7-5-6-8-13(10)11/h4H,2-3,5-9H2,1H3
InChIKeyBJSHPZMXQODFDY-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.23
Rot. Bonds4

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

2-(ethenoxymethyl)-2-ethylthiane 1-oxide (PubChem CID 176603484) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-ethylthiane 1-oxide.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-ethylthiane 1-oxide
PubChem CID176603484
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name2-(ethenoxymethyl)-2-ethylthiane 1-oxide
SMILESC=COCC1(CC)CCCCS1=O
InChIInChI=1S/C10H18O2S/c1-3-10(9-12-4-2)7-5-6-8-13(10)11/h4H,2-3,5-9H2,1H3
InChIKeyBJSHPZMXQODFDY-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-ethylthiane 1-oxide?
The IUPAC name of 2-(ethenoxymethyl)-2-ethylthiane 1-oxide (CID 176603484) is 2-(ethenoxymethyl)-2-ethylthiane 1-oxide.
What is the SMILES notation for 2-(ethenoxymethyl)-2-ethylthiane 1-oxide?
The canonical SMILES for 2-(ethenoxymethyl)-2-ethylthiane 1-oxide is C=COCC1(CC)CCCCS1=O.
What is the InChIKey of 2-(ethenoxymethyl)-2-ethylthiane 1-oxide?
The InChIKey is BJSHPZMXQODFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-3-10(9-12-4-2)7-5-6-8-13(10)11/h4H,2-3,5-9H2,1H3.
What are the key properties of 2-(ethenoxymethyl)-2-ethylthiane 1-oxide?
2-(ethenoxymethyl)-2-ethylthiane 1-oxide has a molecular weight of 202.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-ethylthiane 1-oxide is sourced from PubChem (CID 176603484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).