2-(4-methoxysulfanylbutoxy)oxane

C10H20O3S — CID 143349371

IUPAC2-(4-methoxysulfanylbutoxy)oxane
SMILESCOSCCCCOC1CCCCO1
InChIInChI=1S/C10H20O3S/c1-11-14-9-5-4-8-13-10-6-2-3-7-12-10/h10H,2-9H2,1H3
InChIKeyAEUILFCSOWVUBK-UHFFFAOYSA-N
MW220.33 g/mol
LogP2.60
Rot. Bonds7

About 2-(4-methoxysulfanylbutoxy)oxane

2-(4-methoxysulfanylbutoxy)oxane (PubChem CID 143349371) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 2-(4-methoxysulfanylbutoxy)oxane.

Molecular Properties

Compound Name2-(4-methoxysulfanylbutoxy)oxane
PubChem CID143349371
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name2-(4-methoxysulfanylbutoxy)oxane
SMILESCOSCCCCOC1CCCCO1
InChIInChI=1S/C10H20O3S/c1-11-14-9-5-4-8-13-10-6-2-3-7-12-10/h10H,2-9H2,1H3
InChIKeyAEUILFCSOWVUBK-UHFFFAOYSA-N
XLogP2.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane
CID 20633393
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-octacosoxyoxane
CID 11214102
2-[3-(2-methoxyethoxy)propoxy]oxane
CID 158704924
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
2-(3-methylsulfanylpropoxy)oxolane
CID 89213658
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
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856
2-(6-methylheptoxy)oxane
CID 139685112

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxysulfanylbutoxy)oxane?
The IUPAC name of 2-(4-methoxysulfanylbutoxy)oxane (CID 143349371) is 2-(4-methoxysulfanylbutoxy)oxane.
What is the SMILES notation for 2-(4-methoxysulfanylbutoxy)oxane?
The canonical SMILES for 2-(4-methoxysulfanylbutoxy)oxane is COSCCCCOC1CCCCO1.
What is the InChIKey of 2-(4-methoxysulfanylbutoxy)oxane?
The InChIKey is AEUILFCSOWVUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-11-14-9-5-4-8-13-10-6-2-3-7-12-10/h10H,2-9H2,1H3.
What are the key properties of 2-(4-methoxysulfanylbutoxy)oxane?
2-(4-methoxysulfanylbutoxy)oxane has a molecular weight of 220.33 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxysulfanylbutoxy)oxane is sourced from PubChem (CID 143349371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).