Sulfanediyldiethane-2,1-diyl dihexanoate
Basic information
- CAS
4275-29-0- Standard SMILES
CCCCCC(=O)OCCSCCOC(=O)CCCCC- InChIKey
UIDRKZGBUGGCMC-UHFFFAOYSA-N- Molecular formula
- C16H30O4S
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.18648061
Names & identifiers
- Preferred name
- Sulfanediyldiethane-2,1-diyl dihexanoate
- IUPAC
- 2-(2-hexanoyloxyethylsulfanyl)ethyl hexanoate
Names & synonyms
4275-29-0sulfanediyldiethane-2,1-diyl dihexanoateNSC69159DTXSID10290531NSC-69159Sulfanediyldi(ethane-2,1-diyl) dihexanoate
Database identifiers
- CAS
4275-29-0- PubChem CID
- 250146
- DTXSID
DTXSID10290531
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…