Basic information
- Standard SMILES
CCOC(=O)C(C)(C)SC1CCCCC1- InChIKey
ZLKXUZZQIIMOTJ-UHFFFAOYSA-N- Molecular formula
- C12H22O2S
- Average molar mass
- 230.37 g/mol
- Monoisotopic mass
- 230.13405111
Names & identifiers
- Preferred name
- 2-Cyclohexylsulfanyl-2-methyl-propionic acid ethyl ester
- IUPAC
- ethyl 2-cyclohexylsulfanyl-2-methylpropanoate
Names & synonyms
2-cyclohexylsulfanyl-2-methyl-propionic acid ethyl ester62034-54-2SCHEMBL1620770ZLKXUZZQIIMOTJ-UHFFFAOYSA-NDB-319340Ethyl 2-(cyclohexylthio)-2-methylpropionate
Database identifiers
- PubChem CID
- 21397848
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Related reactions
3 records
Linked notes
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