Dimethyl 2-dodecylsulfanylbutanedioate
Basic information
- CAS
15890-04-7- Standard SMILES
CCCCCCCCCCCCSC(CC(=O)OC)C(=O)OC- InChIKey
BCKUJRNQZDMSPN-UHFFFAOYSA-N- Molecular formula
- C18H34O4S
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.21778074
Names & identifiers
- Preferred name
- Dimethyl 2-dodecylsulfanylbutanedioate
- IUPAC
- dimethyl 2-dodecylsulfanylbutanedioate
Names & synonyms
15890-04-7dimethyl 2-dodecylsulfanylbutanedioatedimethyl 2-(dodecylsulfanyl)butanedioateNSC22407DTXSID60281656NSC-22407
Database identifiers
- CAS
15890-04-7- PubChem CID
- 229045
- DTXSID
DTXSID60281656
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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