3-(ethenoxymethyl)-3-ethylthiane 1-oxide

C10H18O2S — CID 176603530

IUPAC3-(ethenoxymethyl)-3-ethylthiane 1-oxide
SMILESC=COCC1(CC)CCCS(=O)C1
InChIInChI=1S/C10H18O2S/c1-3-10(8-12-4-2)6-5-7-13(11)9-10/h4H,2-3,5-9H2,1H3
InChIKeyNWPPHMNZTFFOSI-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.09
Rot. Bonds4

About 3-(ethenoxymethyl)-3-ethylthiane 1-oxide

3-(ethenoxymethyl)-3-ethylthiane 1-oxide (PubChem CID 176603530) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-(ethenoxymethyl)-3-ethylthiane 1-oxide.

Molecular Properties

Compound Name3-(ethenoxymethyl)-3-ethylthiane 1-oxide
PubChem CID176603530
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name3-(ethenoxymethyl)-3-ethylthiane 1-oxide
SMILESC=COCC1(CC)CCCS(=O)C1
InChIInChI=1S/C10H18O2S/c1-3-10(8-12-4-2)6-5-7-13(11)9-10/h4H,2-3,5-9H2,1H3
InChIKeyNWPPHMNZTFFOSI-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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

4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]thiane 1-oxide
CID 176603005
2-(2-Ethenoxyethyl)-2-methylthiane 1,1-dioxide
CID 176603113
3-(Ethenoxymethyl)-3-ethylthiepane 1-oxide
CID 176603212
3-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603311
3-(Ethenoxymethyl)-3-ethylthiane
CID 176603344
3-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603348
4-ethyl-4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603454
2-(Ethenoxymethyl)-2-ethylthiane 1-oxide
CID 176603484
2-(Ethenoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603497
4-(3-Ethenoxypropyl)-4-ethylthiepane 1-oxide
CID 176603507
3-Ethyl-3-(2-methylprop-1-enoxymethyl)thiane 1,1-dioxide
CID 176603578
4-(Ethenoxymethyl)-4-methylthiane 1-oxide
CID 176603579

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)-3-ethylthiane 1-oxide?
The IUPAC name of 3-(ethenoxymethyl)-3-ethylthiane 1-oxide (CID 176603530) is 3-(ethenoxymethyl)-3-ethylthiane 1-oxide.
What is the SMILES notation for 3-(ethenoxymethyl)-3-ethylthiane 1-oxide?
The canonical SMILES for 3-(ethenoxymethyl)-3-ethylthiane 1-oxide is C=COCC1(CC)CCCS(=O)C1.
What is the InChIKey of 3-(ethenoxymethyl)-3-ethylthiane 1-oxide?
The InChIKey is NWPPHMNZTFFOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-3-10(8-12-4-2)6-5-7-13(11)9-10/h4H,2-3,5-9H2,1H3.
What are the key properties of 3-(ethenoxymethyl)-3-ethylthiane 1-oxide?
3-(ethenoxymethyl)-3-ethylthiane 1-oxide has a molecular weight of 202.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)-3-ethylthiane 1-oxide is sourced from PubChem (CID 176603530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).