Basic information
- Standard SMILES
CCOC(=O)C=C(C)C=CCC(C)CCCC(C)(C)S- InChIKey
XKOLAWSRCOOFIA-UHFFFAOYSA-N- Molecular formula
- C17H30O2S
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.19665137
Names & identifiers
- Preferred name
- Ethyl 11-mercapto-3,7,11-trimethyldodeca-2,4-dienoate
- IUPAC
- ethyl 3,7,11-trimethyl-11-sulfanyldodeca-2,4-dienoate
Names & synonyms
SCHEMBL11870941XKOLAWSRCOOFIA-UHFFFAOYSA-Nethyl 11-mercapto-3,7,11-trimethyldodeca-2,4 -dienoate
Database identifiers
- PubChem CID
- 54474469
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
2 records
Compound notes
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