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

C16H30O4S2 — CID 20633389

IUPAC2-[2-[2-[2-(oxan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane
SMILESC1CCC(OCCSCCSCCOC2CCCCO2)OC1
InChIInChI=1S/C16H30O4S2/c1-3-7-17-15(5-1)19-9-11-21-13-14-22-12-10-20-16-6-2-4-8-18-16/h15-16H,1-14H2
InChIKeyAMTNYKVXZBDFEL-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.54
Rot. Bonds11

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

2-[2-[2-[2-(oxan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane (PubChem CID 20633389) has the molecular formula C16H30O4S2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-[2-[2-[2-(oxan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[2-[2-(oxan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane
PubChem CID20633389
Molecular FormulaC16H30O4S2
Molecular Weight350.55 g/mol
Exact Mass350.16
IUPAC Name2-[2-[2-[2-(oxan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane
SMILESC1CCC(OCCSCCSCCOC2CCCCO2)OC1
InChIInChI=1S/C16H30O4S2/c1-3-7-17-15(5-1)19-9-11-21-13-14-22-12-10-20-16-6-2-4-8-18-16/h15-16H,1-14H2
InChIKeyAMTNYKVXZBDFEL-UHFFFAOYSA-N
XLogP3.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.54
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-[2-[2-(oxan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane?
The IUPAC name of 2-[2-[2-[2-(oxan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane (CID 20633389) is 2-[2-[2-[2-(oxan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane.
What is the SMILES notation for 2-[2-[2-[2-(oxan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane?
The canonical SMILES for 2-[2-[2-[2-(oxan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane is C1CCC(OCCSCCSCCOC2CCCCO2)OC1.
What is the InChIKey of 2-[2-[2-[2-(oxan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane?
The InChIKey is AMTNYKVXZBDFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4S2/c1-3-7-17-15(5-1)19-9-11-21-13-14-22-12-10-20-16-6-2-4-8-18-16/h15-16H,1-14H2.
What are the key properties of 2-[2-[2-[2-(oxan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane?
2-[2-[2-[2-(oxan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane has a molecular weight of 350.55 g/mol, XLogP of 3.54, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(oxan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane is sourced from PubChem (CID 20633389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).