Basic information
- CAS
55333-92-1- Standard SMILES
COC(=O)C1CCOCCCOCCCOCCCOCCCOCCCC1=O- InChIKey
BEYZENGQPVZZOB-UHFFFAOYSA-N- Molecular formula
- C21H38O8
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.25666817
Names & identifiers
- Preferred name
- Methyl 21-oxo-1,5,9,13,17-pentaoxacyclotetracosane-20-carboxylate
- IUPAC
- methyl 21-oxo-1,5,9,13,17-pentaoxacyclotetracosane-20-carboxylate
Names & synonyms
55333-92-1methyl 21-oxo-1,5,9,13,17-pentaoxacyclotetracosane-20-carboxylateNSC361618DTXSID70320580NSC-361618
Database identifiers
- CAS
55333-92-1- PubChem CID
- 338545
- DTXSID
DTXSID70320580
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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