5-thiophen-2-yloxolan-2-one

C8H8O2S — CID 12623861

IUPAC5-thiophen-2-yloxolan-2-one
SMILESO=C1CCC(c2cccs2)O1
InChIInChI=1S/C8H8O2S/c9-8-4-3-6(10-8)7-2-1-5-11-7/h1-2,5-6H,3-4H2
InChIKeyMPMPCWXQGRZREQ-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.13
Rot. Bonds1

About 5-thiophen-2-yloxolan-2-one

5-thiophen-2-yloxolan-2-one (PubChem CID 12623861) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is 5-thiophen-2-yloxolan-2-one.

Molecular Properties

Compound Name5-thiophen-2-yloxolan-2-one
PubChem CID12623861
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Name5-thiophen-2-yloxolan-2-one
SMILESO=C1CCC(c2cccs2)O1
InChIInChI=1S/C8H8O2S/c9-8-4-3-6(10-8)7-2-1-5-11-7/h1-2,5-6H,3-4H2
InChIKeyMPMPCWXQGRZREQ-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yloxolan-2-one?
The IUPAC name of 5-thiophen-2-yloxolan-2-one (CID 12623861) is 5-thiophen-2-yloxolan-2-one.
What is the SMILES notation for 5-thiophen-2-yloxolan-2-one?
The canonical SMILES for 5-thiophen-2-yloxolan-2-one is O=C1CCC(c2cccs2)O1.
What is the InChIKey of 5-thiophen-2-yloxolan-2-one?
The InChIKey is MPMPCWXQGRZREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2S/c9-8-4-3-6(10-8)7-2-1-5-11-7/h1-2,5-6H,3-4H2.
What are the key properties of 5-thiophen-2-yloxolan-2-one?
5-thiophen-2-yloxolan-2-one has a molecular weight of 168.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yloxolan-2-one is sourced from PubChem (CID 12623861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).