1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol

C16H30O6S2 — CID 67552252

IUPAC1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol
SMILESO=S(CCOC1CCCCO1)CCS(=O)CC(O)C1CCCOC1
InChIInChI=1S/C16H30O6S2/c17-15(14-4-3-6-20-12-14)13-24(19)11-10-23(18)9-8-22-16-5-1-2-7-21-16/h14-17H,1-13H2
InChIKeyFKGRXTHXPMCWFZ-UHFFFAOYSA-N
MW382.54 g/mol
LogP0.81
Rot. Bonds10

About 1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol

1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol (PubChem CID 67552252) has the molecular formula C16H30O6S2 and a molecular weight of 382.54 g/mol. Its IUPAC name is 1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol.

Molecular Properties

Compound Name1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol
PubChem CID67552252
Molecular FormulaC16H30O6S2
Molecular Weight382.54 g/mol
Exact Mass382.15
IUPAC Name1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol
SMILESO=S(CCOC1CCCCO1)CCS(=O)CC(O)C1CCCOC1
InChIInChI=1S/C16H30O6S2/c17-15(14-4-3-6-20-12-14)13-24(19)11-10-23(18)9-8-22-16-5-1-2-7-21-16/h14-17H,1-13H2
InChIKeyFKGRXTHXPMCWFZ-UHFFFAOYSA-N
XLogP0.81
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol?
The IUPAC name of 1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol (CID 67552252) is 1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol.
What is the SMILES notation for 1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol?
The canonical SMILES for 1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol is O=S(CCOC1CCCCO1)CCS(=O)CC(O)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol?
The InChIKey is FKGRXTHXPMCWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6S2/c17-15(14-4-3-6-20-12-14)13-24(19)11-10-23(18)9-8-22-16-5-1-2-7-21-16/h14-17H,1-13H2.
What are the key properties of 1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol?
1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol has a molecular weight of 382.54 g/mol, XLogP of 0.81, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-2-[2-[2-(oxan-2-yloxy)ethylsulfinyl]ethylsulfinyl]ethanol is sourced from PubChem (CID 67552252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).