5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid

C10H12O3S — CID 130585100

IUPAC5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid
SMILESCc1ccc(C2CCC(C(=O)O)O2)s1
InChIInChI=1S/C10H12O3S/c1-6-2-5-9(14-6)7-3-4-8(13-7)10(11)12/h2,5,7-8H,3-4H2,1H3,(H,11,12)
InChIKeyFMWFUBYCSWBGLJ-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.36
Rot. Bonds2

About 5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid

5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid (PubChem CID 130585100) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid
PubChem CID130585100
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid
SMILESCc1ccc(C2CCC(C(=O)O)O2)s1
InChIInChI=1S/C10H12O3S/c1-6-2-5-9(14-6)7-3-4-8(13-7)10(11)12/h2,5,7-8H,3-4H2,1H3,(H,11,12)
InChIKeyFMWFUBYCSWBGLJ-UHFFFAOYSA-N
XLogP2.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid (CID 130585100) is 5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid is Cc1ccc(C2CCC(C(=O)O)O2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid?
The InChIKey is FMWFUBYCSWBGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-6-2-5-9(14-6)7-3-4-8(13-7)10(11)12/h2,5,7-8H,3-4H2,1H3,(H,11,12).
What are the key properties of 5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid?
5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)oxolane-2-carboxylic acid is sourced from PubChem (CID 130585100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).