5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid

C14H20O4S — CID 65158382

IUPAC5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid
SMILESCCc1cc(OCCCC2CCCO2)c(C(=O)O)s1
InChIInChI=1S/C14H20O4S/c1-2-11-9-12(13(19-11)14(15)16)18-8-4-6-10-5-3-7-17-10/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyIYQLMJWMWLKCSL-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.35
Rot. Bonds7

About 5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid

5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid (PubChem CID 65158382) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid
PubChem CID65158382
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Name5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid
SMILESCCc1cc(OCCCC2CCCO2)c(C(=O)O)s1
InChIInChI=1S/C14H20O4S/c1-2-11-9-12(13(19-11)14(15)16)18-8-4-6-10-5-3-7-17-10/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyIYQLMJWMWLKCSL-UHFFFAOYSA-N
XLogP3.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid
CID 65158380
3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid
CID 65158430
3-ethoxy-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 65161179
4-methyl-2-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 65158770
2-methyl-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 107671293
[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 65162887
5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159007
N-[[5-bromo-2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158825
1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine
CID 65158967
2-[3-(4-bromo-2-methylphenoxy)propyl]oxolane
CID 65161593
methyl 4-[3-(oxolan-2-yl)propoxy]benzoate
CID 65158529
(1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
CID 82001183

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid?
The IUPAC name of 5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid (CID 65158382) is 5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid is CCc1cc(OCCCC2CCCO2)c(C(=O)O)s1.
What is the InChIKey of 5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid?
The InChIKey is IYQLMJWMWLKCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4S/c1-2-11-9-12(13(19-11)14(15)16)18-8-4-6-10-5-3-7-17-10/h9-10H,2-8H2,1H3,(H,15,16).
What are the key properties of 5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid?
5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid has a molecular weight of 284.38 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 65158382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).