3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid

C10H12O3S — CID 62740627

IUPAC3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccsc2)CCOC1
InChIInChI=1S/C10H12O3S/c11-9(12)10(2-3-13-7-10)5-8-1-4-14-6-8/h1,4,6H,2-3,5,7H2,(H,11,12)
InChIKeyAYIBYXJUZUFGRJ-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.78
Rot. Bonds3

About 3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid

3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid (PubChem CID 62740627) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid
PubChem CID62740627
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccsc2)CCOC1
InChIInChI=1S/C10H12O3S/c11-9(12)10(2-3-13-7-10)5-8-1-4-14-6-8/h1,4,6H,2-3,5,7H2,(H,11,12)
InChIKeyAYIBYXJUZUFGRJ-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid?
The IUPAC name of 3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid (CID 62740627) is 3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid is O=C(O)C1(Cc2ccsc2)CCOC1.
What is the InChIKey of 3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid?
The InChIKey is AYIBYXJUZUFGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c11-9(12)10(2-3-13-7-10)5-8-1-4-14-6-8/h1,4,6H,2-3,5,7H2,(H,11,12).
What are the key properties of 3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid?
3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 62740627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).