5-methyl-3-thiophen-2-yloxolan-2-one

C9H10O2S — CID 147129270

IUPAC5-methyl-3-thiophen-2-yloxolan-2-one
SMILESCC1CC(c2cccs2)C(=O)O1
InChIInChI=1S/C9H10O2S/c1-6-5-7(9(10)11-6)8-3-2-4-12-8/h2-4,6-7H,5H2,1H3
InChIKeyBPWUOGCMPQAFMO-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.17
Rot. Bonds1

About 5-methyl-3-thiophen-2-yloxolan-2-one

5-methyl-3-thiophen-2-yloxolan-2-one (PubChem CID 147129270) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 5-methyl-3-thiophen-2-yloxolan-2-one.

Molecular Properties

Compound Name5-methyl-3-thiophen-2-yloxolan-2-one
PubChem CID147129270
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name5-methyl-3-thiophen-2-yloxolan-2-one
SMILESCC1CC(c2cccs2)C(=O)O1
InChIInChI=1S/C9H10O2S/c1-6-5-7(9(10)11-6)8-3-2-4-12-8/h2-4,6-7H,5H2,1H3
InChIKeyBPWUOGCMPQAFMO-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-thiophen-2-yloxolan-2-one?
The IUPAC name of 5-methyl-3-thiophen-2-yloxolan-2-one (CID 147129270) is 5-methyl-3-thiophen-2-yloxolan-2-one.
What is the SMILES notation for 5-methyl-3-thiophen-2-yloxolan-2-one?
The canonical SMILES for 5-methyl-3-thiophen-2-yloxolan-2-one is CC1CC(c2cccs2)C(=O)O1.
What is the InChIKey of 5-methyl-3-thiophen-2-yloxolan-2-one?
The InChIKey is BPWUOGCMPQAFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-6-5-7(9(10)11-6)8-3-2-4-12-8/h2-4,6-7H,5H2,1H3.
What are the key properties of 5-methyl-3-thiophen-2-yloxolan-2-one?
5-methyl-3-thiophen-2-yloxolan-2-one has a molecular weight of 182.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-thiophen-2-yloxolan-2-one is sourced from PubChem (CID 147129270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).