Basic information
- Standard SMILES
CCCCCCCCCCCCOC(=O)C(O)CCSC- InChIKey
KLCDOUMAQNRUFW-UHFFFAOYSA-N- Molecular formula
- C17H34O3S
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.22286612
Names & identifiers
- Preferred name
- Dodecyl 2-hydroxy-4-(methylthio)butanoate
- IUPAC
- dodecyl 2-hydroxy-4-methylsulfanylbutanoate
Names & synonyms
SCHEMBL15092942KLCDOUMAQNRUFW-UHFFFAOYSA-Ndodecyl 2-hydroxy-4-(methylthio)butanoate
Database identifiers
- PubChem CID
- 86689971
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 234
Related reactions
2 records
Compound notes
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