Basic information
- Standard SMILES
CCOC(=O)c1cc(C(O)(CC)CC)sc1CC- InChIKey
CFGGUMVUBVDZRI-UHFFFAOYSA-N- Molecular formula
- C14H22O3S
- Average molar mass
- 270.39 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-ethyl-5-(1-ethyl-1-hydroxypropyl)thiophene-3-carboxylate
- IUPAC
- ethyl 2-ethyl-5-(3-hydroxypentan-3-yl)thiophene-3-carboxylate
Names & synonyms
SCHEMBL3102165CFGGUMVUBVDZRI-UHFFFAOYSA-Nethyl 2-ethyl-5-(1-ethyl-1-hydroxypropyl)thiophene-3-carboxylate
Database identifiers
- PubChem CID
- 68512433
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Related reactions
3 records
Compound notes
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