3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid

C11H14O3S — CID 63774395

IUPAC3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(CCc2cccs2)CCOC1
InChIInChI=1S/C11H14O3S/c12-10(13)11(5-6-14-8-11)4-3-9-2-1-7-15-9/h1-2,7H,3-6,8H2,(H,12,13)
InChIKeyGRKRLAKHYZTFBO-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.17
Rot. Bonds4

About 3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid

3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid (PubChem CID 63774395) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid
PubChem CID63774395
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(CCc2cccs2)CCOC1
InChIInChI=1S/C11H14O3S/c12-10(13)11(5-6-14-8-11)4-3-9-2-1-7-15-9/h1-2,7H,3-6,8H2,(H,12,13)
InChIKeyGRKRLAKHYZTFBO-UHFFFAOYSA-N
XLogP2.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid
CID 63774592
3-(3-phenylpropyl)oxolane-3-carboxylic acid
CID 62738542
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxane-3-carboxylic acid
CID 63745371
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]oxane-3-carboxylic acid
CID 63745377
4-[[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440346
4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid
CID 63124753
3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane
CID 66048547
3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid
CID 65402707
3-amino-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892897
3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid
CID 62740627
1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone
CID 119037778
4-(2-thiophen-2-ylethyl)oxepan-4-amine
CID 65076896

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid?
The IUPAC name of 3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid (CID 63774395) is 3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid is O=C(O)C1(CCc2cccs2)CCOC1.
What is the InChIKey of 3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid?
The InChIKey is GRKRLAKHYZTFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c12-10(13)11(5-6-14-8-11)4-3-9-2-1-7-15-9/h1-2,7H,3-6,8H2,(H,12,13).
What are the key properties of 3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid?
3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 63774395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).