Basic information
- Standard SMILES
C=CCCC(C)(C(=O)OCC)S(C)(=O)=O- InChIKey
BBWWFZWFWHKJHO-UHFFFAOYSA-N- Molecular formula
- C10H18O4S
- Average molar mass
- 234.31 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-methyl-2-(methylsulfonyl)hex-5-enoate
- IUPAC
- ethyl 2-methyl-2-methylsulfonylhex-5-enoate
Names & synonyms
Ethyl 2-methyl-2-(methylsulfonyl)hex-5-enoateSCHEMBL12985129BBWWFZWFWHKJHO-UHFFFAOYSA-N1402353-76-7
Database identifiers
- PubChem CID
- 86709147
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 326
Related reactions
2 records
Compound notes
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