6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one

C15H24O6S2 — CID 142135588

IUPAC6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one
SMILESO=C1CCCC(CCS(=O)CCS(=O)CCC2CCC(=O)O2)O1
InChIInChI=1S/C15H24O6S2/c16-14-3-1-2-12(20-14)6-8-22(18)10-11-23(19)9-7-13-4-5-15(17)21-13/h12-13H,1-11H2
InChIKeyUVGAPMFRIZXQKV-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.07
Rot. Bonds9

About 6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one

6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one (PubChem CID 142135588) has the molecular formula C15H24O6S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one.

Molecular Properties

Compound Name6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one
PubChem CID142135588
Molecular FormulaC15H24O6S2
Molecular Weight364.49 g/mol
Exact Mass364.10
IUPAC Name6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one
SMILESO=C1CCCC(CCS(=O)CCS(=O)CCC2CCC(=O)O2)O1
InChIInChI=1S/C15H24O6S2/c16-14-3-1-2-12(20-14)6-8-22(18)10-11-23(19)9-7-13-4-5-15(17)21-13/h12-13H,1-11H2
InChIKeyUVGAPMFRIZXQKV-UHFFFAOYSA-N
XLogP1.07
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one?
The IUPAC name of 6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one (CID 142135588) is 6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one.
What is the SMILES notation for 6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one?
The canonical SMILES for 6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one is O=C1CCCC(CCS(=O)CCS(=O)CCC2CCC(=O)O2)O1.
What is the InChIKey of 6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one?
The InChIKey is UVGAPMFRIZXQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6S2/c16-14-3-1-2-12(20-14)6-8-22(18)10-11-23(19)9-7-13-4-5-15(17)21-13/h12-13H,1-11H2.
What are the key properties of 6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one?
6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one has a molecular weight of 364.49 g/mol, XLogP of 1.07, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[2-(5-oxooxolan-2-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxan-2-one is sourced from PubChem (CID 142135588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).