Hexyl 2-thiophenecarboxylate
Basic information
- CAS
91968-83-1- Standard SMILES
CCCCCCOC(=O)c1cccs1- InChIKey
PJYCYAKGVCZVQF-UHFFFAOYSA-N- Molecular formula
- C11H16O2S
- Average molar mass
- 212.31 g/mol
- Monoisotopic mass
- 212.08710092
Names & identifiers
- Preferred name
- Hexyl 2-thiophenecarboxylate
- IUPAC
- hexyl thiophene-2-carboxylate
Names & synonyms
Hexyl 2-thiophenecarboxylate91968-83-1Hexyl 2-thiophenecarboxylate #SCHEMBL30526531PJYCYAKGVCZVQF-UHFFFAOYSA-NDTXSID301034251AKOS0172189562-Thiophenecarboxylic acid, hexyl esterthiophene-2-carboxylic acid hexyl esterdoi:10.14272/PJYCYAKGVCZVQF-UHFFFAOYSA-N.1
Database identifiers
- CAS
91968-83-1- PubChem CID
- 574113
- DTXSID
DTXSID301034251- Nikkaji
- J191.480D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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