Basic information
- CAS
42218-25-7- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCC- InChIKey
FSOWIQTZALIXKC-UHFFFAOYSA-N- Molecular formula
- C39H78O2
- Average molar mass
- 579 g/mol
- Monoisotopic mass
- 578.60018173
Names & identifiers
- Preferred name
- Docosyl heptadecanoate
- IUPAC
- docosyl heptadecanoate
Names & synonyms
docosyl heptadecanoate42218-25-7DTXSID30275865RefChem:339359DTXCID80227233behenyl heptadecanoateSCHEMBL30564189FSOWIQTZALIXKC-UHFFFAOYSA-N
Database identifiers
- CAS
42218-25-7- PubChem CID
- 89704
- DTXSID
DTXSID30275865
Properties
Computed structural properties
- XLogP
- 19
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 37
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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