2-(2-methylsulfinylethoxy)oxane

C8H16O3S — CID 139397304

IUPAC2-(2-methylsulfinylethoxy)oxane
SMILESCS(=O)CCOC1CCCCO1
InChIInChI=1S/C8H16O3S/c1-12(9)7-6-11-8-4-2-3-5-10-8/h8H,2-7H2,1H3
InChIKeyWGJNNILUFZLPFR-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.91
Rot. Bonds4

About 2-(2-methylsulfinylethoxy)oxane

2-(2-methylsulfinylethoxy)oxane (PubChem CID 139397304) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(2-methylsulfinylethoxy)oxane.

Molecular Properties

Compound Name2-(2-methylsulfinylethoxy)oxane
PubChem CID139397304
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name2-(2-methylsulfinylethoxy)oxane
SMILESCS(=O)CCOC1CCCCO1
InChIInChI=1S/C8H16O3S/c1-12(9)7-6-11-8-4-2-3-5-10-8/h8H,2-7H2,1H3
InChIKeyWGJNNILUFZLPFR-UHFFFAOYSA-N
XLogP0.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
1-[3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfinic acid
CID 71108385
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-octacosoxyoxane
CID 11214102
2-(2-chloroethoxy)oxepane
CID 24977653
2-(4,4-dimethylpentoxy)oxane
CID 59628221
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-(12-bromododecoxy)oxane
CID 11078592
2-[5-(oxiran-2-yl)pentoxy]oxane
CID 169009121
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfinylethoxy)oxane?
The IUPAC name of 2-(2-methylsulfinylethoxy)oxane (CID 139397304) is 2-(2-methylsulfinylethoxy)oxane.
What is the SMILES notation for 2-(2-methylsulfinylethoxy)oxane?
The canonical SMILES for 2-(2-methylsulfinylethoxy)oxane is CS(=O)CCOC1CCCCO1.
What is the InChIKey of 2-(2-methylsulfinylethoxy)oxane?
The InChIKey is WGJNNILUFZLPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-12(9)7-6-11-8-4-2-3-5-10-8/h8H,2-7H2,1H3.
What are the key properties of 2-(2-methylsulfinylethoxy)oxane?
2-(2-methylsulfinylethoxy)oxane has a molecular weight of 192.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfinylethoxy)oxane is sourced from PubChem (CID 139397304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).