4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid

C11H14O4S — CID 103132685

IUPAC4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid
SMILESCC1CCC(COc2csc(C(=O)O)c2)O1
InChIInChI=1S/C11H14O4S/c1-7-2-3-8(15-7)5-14-9-4-10(11(12)13)16-6-9/h4,6-8H,2-3,5H2,1H3,(H,12,13)
InChIKeyMGNUPSXQKOYWES-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.39
Rot. Bonds4

About 4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid

4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 103132685) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID103132685
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid
SMILESCC1CCC(COc2csc(C(=O)O)c2)O1
InChIInChI=1S/C11H14O4S/c1-7-2-3-8(15-7)5-14-9-4-10(11(12)13)16-6-9/h4,6-8H,2-3,5H2,1H3,(H,12,13)
InChIKeyMGNUPSXQKOYWES-UHFFFAOYSA-N
XLogP2.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid (CID 103132685) is 4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid is CC1CCC(COc2csc(C(=O)O)c2)O1.
What is the InChIKey of 4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is MGNUPSXQKOYWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-7-2-3-8(15-7)5-14-9-4-10(11(12)13)16-6-9/h4,6-8H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid?
4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 103132685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).