2-(3-methylsulfanylpropoxy)oxolane

C8H16O2S — CID 89213658

IUPAC2-(3-methylsulfanylpropoxy)oxolane
SMILESCSCCCOC1CCCO1
InChIInChI=1S/C8H16O2S/c1-11-7-3-6-10-8-4-2-5-9-8/h8H,2-7H2,1H3
InChIKeyWSIKTEAALLJPLZ-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.89
Rot. Bonds5

About 2-(3-methylsulfanylpropoxy)oxolane

2-(3-methylsulfanylpropoxy)oxolane (PubChem CID 89213658) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-(3-methylsulfanylpropoxy)oxolane.

Molecular Properties

Compound Name2-(3-methylsulfanylpropoxy)oxolane
PubChem CID89213658
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name2-(3-methylsulfanylpropoxy)oxolane
SMILESCSCCCOC1CCCO1
InChIInChI=1S/C8H16O2S/c1-11-7-3-6-10-8-4-2-5-9-8/h8H,2-7H2,1H3
InChIKeyWSIKTEAALLJPLZ-UHFFFAOYSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.89
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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Related Compounds

2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane
CID 20633393
2-(4-methoxysulfanylbutoxy)oxane
CID 143349371
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-octacosoxyoxane
CID 11214102
2-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]oxolane
CID 70907878
2-(4,4-dimethylpentoxy)oxane
CID 59628221
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-(12-bromododecoxy)oxane
CID 11078592
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856
Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane
CID 78062562

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylpropoxy)oxolane?
The IUPAC name of 2-(3-methylsulfanylpropoxy)oxolane (CID 89213658) is 2-(3-methylsulfanylpropoxy)oxolane.
What is the SMILES notation for 2-(3-methylsulfanylpropoxy)oxolane?
The canonical SMILES for 2-(3-methylsulfanylpropoxy)oxolane is CSCCCOC1CCCO1.
What is the InChIKey of 2-(3-methylsulfanylpropoxy)oxolane?
The InChIKey is WSIKTEAALLJPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-11-7-3-6-10-8-4-2-5-9-8/h8H,2-7H2,1H3.
What are the key properties of 2-(3-methylsulfanylpropoxy)oxolane?
2-(3-methylsulfanylpropoxy)oxolane has a molecular weight of 176.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylpropoxy)oxolane is sourced from PubChem (CID 89213658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).