2-tetradecylthiophene-3-carboxylic acid

C19H32O2S — CID 67293637

IUPAC2-tetradecylthiophene-3-carboxylic acid
SMILESCCCCCCCCCCCCCCc1sccc1C(=O)O
InChIInChI=1S/C19H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-17(19(20)21)15-16-22-18/h15-16H,2-14H2,1H3,(H,20,21)
InChIKeyZQEXMUDKFZOTQH-UHFFFAOYSA-N
MW324.53 g/mol
LogP6.69
Rot. Bonds14

About 2-tetradecylthiophene-3-carboxylic acid

2-tetradecylthiophene-3-carboxylic acid (PubChem CID 67293637) has the molecular formula C19H32O2S and a molecular weight of 324.53 g/mol. Its IUPAC name is 2-tetradecylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-tetradecylthiophene-3-carboxylic acid
PubChem CID67293637
Molecular FormulaC19H32O2S
Molecular Weight324.53 g/mol
Exact Mass324.21
IUPAC Name2-tetradecylthiophene-3-carboxylic acid
SMILESCCCCCCCCCCCCCCc1sccc1C(=O)O
InChIInChI=1S/C19H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-17(19(20)21)15-16-22-18/h15-16H,2-14H2,1H3,(H,20,21)
InChIKeyZQEXMUDKFZOTQH-UHFFFAOYSA-N
XLogP6.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.53
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propylthiophene-3-carboxylic acid
CID 131595068
2,3-didodecylthiophene
CID 66897470
2-hexylthiophen-3-ol
CID 175348347
3-ethyl-2-hexylthiophene;N-methylmethanamine
CID 142603185
2,3-di(icosyl)terephthalic acid
CID 89482295
2-hexyl-3-methylthiophene
CID 69043695
2-nonyl-3-pentylterephthalic acid
CID 122470238
2,3-dihexadecylterephthalic acid
CID 70135464
2-(pentylamino)thiophene-3-carboxylic acid
CID 67837297
decane;phthalic acid
CID 158763790
2,3-diheptyl-4-hydroxybenzoic acid
CID 69402262
2-(3-methylnonan-3-yl)thiophene-3-carboxylic acid
CID 138747060

Frequently Asked Questions

What is the IUPAC name of 2-tetradecylthiophene-3-carboxylic acid?
The IUPAC name of 2-tetradecylthiophene-3-carboxylic acid (CID 67293637) is 2-tetradecylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-tetradecylthiophene-3-carboxylic acid?
The canonical SMILES for 2-tetradecylthiophene-3-carboxylic acid is CCCCCCCCCCCCCCc1sccc1C(=O)O.
What is the InChIKey of 2-tetradecylthiophene-3-carboxylic acid?
The InChIKey is ZQEXMUDKFZOTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-17(19(20)21)15-16-22-18/h15-16H,2-14H2,1H3,(H,20,21).
What are the key properties of 2-tetradecylthiophene-3-carboxylic acid?
2-tetradecylthiophene-3-carboxylic acid has a molecular weight of 324.53 g/mol, XLogP of 6.69, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecylthiophene-3-carboxylic acid is sourced from PubChem (CID 67293637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).