Basic information
- CAS
56599-42-9- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCCOCCCCCCCCCCCCCCCCCC- InChIKey
YBQMGKGJEGKGQP-UHFFFAOYSA-N- Molecular formula
- C38H74O3
- Average molar mass
- 579 g/mol
- Monoisotopic mass
- 578.56379622
Names & identifiers
- Preferred name
- 9-Octadecenoic acid 2-(octadecyloxy)ethyl ester
- IUPAC
- 2-octadecoxyethyl octadec-9-enoate
- English name
- 9-Octadecenoic acid 2-(octadecyloxy)ethyl ester
- Molecular formula
- C38H74O3
- Molecular weight
- 578.99
Names & synonyms
56599-42-9AGN-PC-0JSNX69-Octadecenoic acid 2-(octadecyloxy)ethyl esterDTXSID303379572-(octadecyloxy)ethyl octadec-9-enoateDB-264269Reaxys ID: 2311014
Database identifiers
- CAS
56599-42-9- PubChem CID
- 545689
- DTXSID
DTXSID30337957
Properties
Computed structural properties
- XLogP
- 16.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 36
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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