Basic information
- Standard SMILES
CCCC(O)CCCCC(=S)OCC- InChIKey
YTDDVOFQDDDAHK-UHFFFAOYSA-N- Molecular formula
- C11H22O2S
- Average molar mass
- 218.36 g/mol
- Monoisotopic mass
- 218.13405111
Names & identifiers
- Preferred name
- 6-Hydroxy-8-methylthiooctanoic acid ethyl ester
- IUPAC
- O-ethyl 6-hydroxynonanethioate
Names & synonyms
SCHEMBL10454191YTDDVOFQDDDAHK-UHFFFAOYSA-N6-hydroxy-8-methylthiooctanoic acid ethyl ester
Database identifiers
- PubChem CID
- 54525970
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 148
Related reactions
8 records
Compound notes
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