(2R)-5-Hydroxy-2,4-dimethyl-2-octylthiophen-3(2H)-one
Basic information
- CAS
278597-52-7- Standard SMILES
CCCCCCCC[C@@]1(C)SC(=O)C(C)=C1O- InChIKey
LOVFARKOSKKFGH-CQSZACIVSA-N- Molecular formula
- C14H24O2S
- Average molar mass
- 256.41 g/mol
- Monoisotopic mass
- 256.14970118
Names & identifiers
- Preferred name
- (2R)-5-Hydroxy-2,4-dimethyl-2-octylthiophen-3(2H)-one
- IUPAC
- (5R)-4-hydroxy-3,5-dimethyl-5-octylthiophen-2-one
Names & synonyms
CHEMBL178580278597-52-7SCHEMBL13332179(2R)-5-Hydroxy-2,4-dimethyl-2-octylthiophen-3(2H)-oneDTXSID40658640BDBM50475319
Database identifiers
- CAS
278597-52-7- PubChem CID
- 136102470
- DTXSID
DTXSID40658640- ChEMBL
CHEMBL178580
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
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Compound notes
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