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

C14H22O4S2 — CID 20633422

IUPAC4-[2-[2-[2-(5-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one
SMILESO=C1CC(CCSCCSCCC2COC(=O)C2)CO1
InChIInChI=1S/C14H22O4S2/c15-13-7-11(9-17-13)1-3-19-5-6-20-4-2-12-8-14(16)18-10-12/h11-12H,1-10H2
InChIKeyFPDQLEQLEHVHBO-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.36
Rot. Bonds9

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

4-[2-[2-[2-(5-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one (PubChem CID 20633422) has the molecular formula C14H22O4S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-[2-[2-[2-(5-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one.

Molecular Properties

Compound Name4-[2-[2-[2-(5-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one
PubChem CID20633422
Molecular FormulaC14H22O4S2
Molecular Weight318.46 g/mol
Exact Mass318.10
IUPAC Name4-[2-[2-[2-(5-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one
SMILESO=C1CC(CCSCCSCCC2COC(=O)C2)CO1
InChIInChI=1S/C14H22O4S2/c15-13-7-11(9-17-13)1-3-19-5-6-20-4-2-12-8-14(16)18-10-12/h11-12H,1-10H2
InChIKeyFPDQLEQLEHVHBO-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

Ethyl 2-(tetrahydrothiophen-3-yl)acetate
CID 14962806
Ethyl 5-(acetylsulfanylmethyl)thiolane-3-carboxylate
CID 19096336
Ethyl 5-(methylsulfanylmethyl)thiolane-3-carboxylate
CID 19096351
Dibutyl thiolane-2,3-dicarboxylate
CID 19980700
3-[2-[2-[2-(2-Oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one
CID 20633403
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-[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
trans-4-Ethoxycarbonyl-2-methylthiomethyltetrahydrothiophene
CID 54458810
2-O-tert-butyl 3-O-ethyl thiolane-2,3-dicarboxylate
CID 57017150
3-O-tert-butyl 2-O-ethyl thiolane-2,3-dicarboxylate
CID 57085636

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(5-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one?
The IUPAC name of 4-[2-[2-[2-(5-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one (CID 20633422) is 4-[2-[2-[2-(5-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one.
What is the SMILES notation for 4-[2-[2-[2-(5-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one?
The canonical SMILES for 4-[2-[2-[2-(5-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one is O=C1CC(CCSCCSCCC2COC(=O)C2)CO1.
What is the InChIKey of 4-[2-[2-[2-(5-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one?
The InChIKey is FPDQLEQLEHVHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4S2/c15-13-7-11(9-17-13)1-3-19-5-6-20-4-2-12-8-14(16)18-10-12/h11-12H,1-10H2.
What are the key properties of 4-[2-[2-[2-(5-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one?
4-[2-[2-[2-(5-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 4-[2-[2-[2-(5-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]ethyl]oxolan-2-one is sourced from PubChem (CID 20633422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).