4-Hydroxy-6-isopropyl-6-(2-thiophen-3-yl-ethyl)-5,6-dihydro-pyran-2-one
Basic information
- Standard SMILES
CC(C)C1(CCc2ccsc2)CC(O)=CC(=O)O1- InChIKey
CTBQGNKZINXZIZ-UHFFFAOYSA-N- Molecular formula
- C14H18O3S
- Average molar mass
- 266.36 g/mol
- Monoisotopic mass
- 266.09766561
Names & identifiers
- Preferred name
- 4-Hydroxy-6-isopropyl-6-(2-thiophen-3-yl-ethyl)-5,6-dihydro-pyran-2-one
- IUPAC
- 4-hydroxy-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-6-one
Names & synonyms
SCHEMBL6298397CTBQGNKZINXZIZ-UHFFFAOYSA-N4-hydroxy-6-isopropyl-6-(2-thiophen-3-yl-ethyl)-5,6-dihydro-pyran-2-one
Database identifiers
- PubChem CID
- 54677016
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
Related reactions
5 records
Compound notes
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