2,12-Dimethyl-1,4,7,10,13-pentaoxa-16-thiacyclooctadecane-14,18-dione
Basic information
- CAS
72562-54-0- Standard SMILES
CC1COCCOCCOCC(C)OC(=O)CSCC(=O)O1- InChIKey
CNSSKYFLMMUOCS-UHFFFAOYSA-N- Molecular formula
- C14H24O7S
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.12427427
Names & identifiers
- Preferred name
- 2,12-Dimethyl-1,4,7,10,13-pentaoxa-16-thiacyclooctadecane-14,18-dione
- IUPAC
- 2,12-dimethyl-1,4,7,10,13-pentaoxa-16-thiacyclooctadecane-14,18-dione
Names & synonyms
72562-54-0NSC2978602,12-dimethyl-1,4,7,10,13-pentaoxa-16-thiacyclooctadecane-14,18-dioneDTXSID30315851NSC-297860
Database identifiers
- CAS
72562-54-0- PubChem CID
- 326439
- DTXSID
DTXSID30315851
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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