3-(2-ethylsulfanylethoxy)-3-phenyloxetane

C13H18O2S — CID 175289211

IUPAC3-(2-ethylsulfanylethoxy)-3-phenyloxetane
SMILESCCSCCOC1(c2ccccc2)COC1
InChIInChI=1S/C13H18O2S/c1-2-16-9-8-15-13(10-14-11-13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyLLOMZICTFVKJFL-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.68
Rot. Bonds6

About 3-(2-ethylsulfanylethoxy)-3-phenyloxetane

3-(2-ethylsulfanylethoxy)-3-phenyloxetane (PubChem CID 175289211) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-(2-ethylsulfanylethoxy)-3-phenyloxetane.

Molecular Properties

Compound Name3-(2-ethylsulfanylethoxy)-3-phenyloxetane
PubChem CID175289211
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name3-(2-ethylsulfanylethoxy)-3-phenyloxetane
SMILESCCSCCOC1(c2ccccc2)COC1
InChIInChI=1S/C13H18O2S/c1-2-16-9-8-15-13(10-14-11-13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyLLOMZICTFVKJFL-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfanylethoxy)-3-phenyloxetane?
The IUPAC name of 3-(2-ethylsulfanylethoxy)-3-phenyloxetane (CID 175289211) is 3-(2-ethylsulfanylethoxy)-3-phenyloxetane.
What is the SMILES notation for 3-(2-ethylsulfanylethoxy)-3-phenyloxetane?
The canonical SMILES for 3-(2-ethylsulfanylethoxy)-3-phenyloxetane is CCSCCOC1(c2ccccc2)COC1.
What is the InChIKey of 3-(2-ethylsulfanylethoxy)-3-phenyloxetane?
The InChIKey is LLOMZICTFVKJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-2-16-9-8-15-13(10-14-11-13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3.
What are the key properties of 3-(2-ethylsulfanylethoxy)-3-phenyloxetane?
3-(2-ethylsulfanylethoxy)-3-phenyloxetane has a molecular weight of 238.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfanylethoxy)-3-phenyloxetane is sourced from PubChem (CID 175289211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).