2-Thiopheneacetic acid, 2-ethylcyclohexyl ester
Basic information
- Standard SMILES
CCC1CCCCC1OC(=O)Cc1cccs1- InChIKey
SONZIMAZHCICGR-UHFFFAOYSA-N- Molecular formula
- C14H20O2S
- Average molar mass
- 252.37 g/mol
- Monoisotopic mass
- 252.11840105
Names & identifiers
- Preferred name
- 2-Thiopheneacetic acid, 2-ethylcyclohexyl ester
- IUPAC
- (2-ethylcyclohexyl) 2-thiophen-2-ylacetate
Names & synonyms
2-Thiopheneacetic acid, 2-ethylcyclohexyl esterSONZIMAZHCICGR-UHFFFAOYSA-NDTXSID4013631442-Ethylcyclohexyl 2-thienylacetate #
Database identifiers
- PubChem CID
- 550231
- DTXSID
DTXSID401363144
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
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Related reactions
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Compound notes
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