2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane

C17H32O4S2 — CID 20633391

IUPAC2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane
SMILESC1CCC(OCCSCCCSCCOC2CCCCO2)OC1
InChIInChI=1S/C17H32O4S2/c1-3-8-18-16(6-1)20-10-14-22-12-5-13-23-15-11-21-17-7-2-4-9-19-17/h16-17H,1-15H2
InChIKeyBOCVMLKEHMGMSO-UHFFFAOYSA-N
MW364.57 g/mol
LogP3.93
Rot. Bonds12

About 2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane

2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane (PubChem CID 20633391) has the molecular formula C17H32O4S2 and a molecular weight of 364.57 g/mol. Its IUPAC name is 2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane
PubChem CID20633391
Molecular FormulaC17H32O4S2
Molecular Weight364.57 g/mol
Exact Mass364.17
IUPAC Name2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane
SMILESC1CCC(OCCSCCCSCCOC2CCCCO2)OC1
InChIInChI=1S/C17H32O4S2/c1-3-8-18-16(6-1)20-10-14-22-12-5-13-23-15-11-21-17-7-2-4-9-19-17/h16-17H,1-15H2
InChIKeyBOCVMLKEHMGMSO-UHFFFAOYSA-N
XLogP3.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane?
The IUPAC name of 2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane (CID 20633391) is 2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane.
What is the SMILES notation for 2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane?
The canonical SMILES for 2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane is C1CCC(OCCSCCCSCCOC2CCCCO2)OC1.
What is the InChIKey of 2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane?
The InChIKey is BOCVMLKEHMGMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4S2/c1-3-8-18-16(6-1)20-10-14-22-12-5-13-23-15-11-21-17-7-2-4-9-19-17/h16-17H,1-15H2.
What are the key properties of 2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane?
2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane has a molecular weight of 364.57 g/mol, XLogP of 3.93, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane is sourced from PubChem (CID 20633391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).