4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one

C15H24O4S2 — CID 20633424

IUPAC4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one
SMILESO=C1CC(CCSCCCSCCC2COC(=O)C2)CO1
InChIInChI=1S/C15H24O4S2/c16-14-8-12(10-18-14)2-6-20-4-1-5-21-7-3-13-9-15(17)19-11-13/h12-13H,1-11H2
InChIKeyGFRHELFRDJPNMH-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.75
Rot. Bonds10

About 4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one

4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one (PubChem CID 20633424) has the molecular formula C15H24O4S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one.

Molecular Properties

Compound Name4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one
PubChem CID20633424
Molecular FormulaC15H24O4S2
Molecular Weight332.49 g/mol
Exact Mass332.11
IUPAC Name4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one
SMILESO=C1CC(CCSCCCSCCC2COC(=O)C2)CO1
InChIInChI=1S/C15H24O4S2/c16-14-8-12(10-18-14)2-6-20-4-1-5-21-7-3-13-9-15(17)19-11-13/h12-13H,1-11H2
InChIKeyGFRHELFRDJPNMH-UHFFFAOYSA-N
XLogP2.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.75
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 4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one?
The IUPAC name of 4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one (CID 20633424) is 4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one.
What is the SMILES notation for 4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one?
The canonical SMILES for 4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one is O=C1CC(CCSCCCSCCC2COC(=O)C2)CO1.
What is the InChIKey of 4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one?
The InChIKey is GFRHELFRDJPNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4S2/c16-14-8-12(10-18-14)2-6-20-4-1-5-21-7-3-13-9-15(17)19-11-13/h12-13H,1-11H2.
What are the key properties of 4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one?
4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one has a molecular weight of 332.49 g/mol, XLogP of 2.75, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(5-oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one is sourced from PubChem (CID 20633424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).