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

C14H22O4S2 — CID 20633403

IUPAC3-[2-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one
SMILESO=C1OCCC1CCSCCSCCC1CCOC1=O
InChIInChI=1S/C14H22O4S2/c15-13-11(1-5-17-13)3-7-19-9-10-20-8-4-12-2-6-18-14(12)16/h11-12H,1-10H2
InChIKeyVAGAFMXPJCJMTE-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.36
Rot. Bonds9

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

3-[2-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one (PubChem CID 20633403) has the molecular formula C14H22O4S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one.

Molecular Properties

Compound Name3-[2-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one
PubChem CID20633403
Molecular FormulaC14H22O4S2
Molecular Weight318.46 g/mol
Exact Mass318.10
IUPAC Name3-[2-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one
SMILESO=C1OCCC1CCSCCSCCC1CCOC1=O
InChIInChI=1S/C14H22O4S2/c15-13-11(1-5-17-13)3-7-19-9-10-20-8-4-12-2-6-18-14(12)16/h11-12H,1-10H2
InChIKeyVAGAFMXPJCJMTE-UHFFFAOYSA-N
XLogP2.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.36
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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Related Compounds

Dibutyl thiolane-2,3-dicarboxylate
CID 19980700
3-[2-[3-[2-(2-Oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one
CID 20633406
3-[3-[3-[3-(2-Oxooxolan-3-yl)propylsulfanyl]propylsulfanyl]propyl]oxolan-2-one
CID 20633409
4-[2-[2-[2-(5-Oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one
CID 20633422
4-[2-[3-[2-(5-Oxooxolan-3-yl)ethylsulfanyl]propylsulfanyl]ethyl]oxolan-2-one
CID 20633424
4-[3-[3-[3-(5-Oxooxolan-3-yl)propylsulfanyl]propylsulfanyl]propyl]oxolan-2-one
CID 20633436
ethyl 2-methyl-2-({2-[(3R)-oxolan-3-yl]ethyl}sulfanyl)propanoate
CID 59253278
4-[2-[3-[2-(5-Oxooxolan-3-yl)ethylsulfinyl]propylsulfinyl]ethyl]oxolan-2-one
CID 60059836
3-[2-[3-[2-(2-Oxooxolan-3-yl)ethylsulfinyl]propylsulfinyl]ethyl]oxolan-2-one
CID 60059837
3-[3-[3-[3-(2-Oxooxolan-3-yl)propylsulfinyl]propylsulfinyl]propyl]oxolan-2-one
CID 60059843
3-[2-[2-[2-(2-Oxooxolan-3-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxolan-2-one
CID 60059852
4-[2-[2-[2-(5-Oxooxolan-3-yl)ethylsulfinyl]ethylsulfinyl]ethyl]oxolan-2-one
CID 60059891

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one?
The IUPAC name of 3-[2-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one (CID 20633403) is 3-[2-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one.
What is the SMILES notation for 3-[2-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one?
The canonical SMILES for 3-[2-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one is O=C1OCCC1CCSCCSCCC1CCOC1=O.
What is the InChIKey of 3-[2-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one?
The InChIKey is VAGAFMXPJCJMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4S2/c15-13-11(1-5-17-13)3-7-19-9-10-20-8-4-12-2-6-18-14(12)16/h11-12H,1-10H2.
What are the key properties of 3-[2-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one?
3-[2-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one has a molecular weight of 318.46 g/mol, XLogP of 2.36, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one is sourced from PubChem (CID 20633403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).