Basic information
- CAS
158907-91-6- Standard SMILES
CCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC- InChIKey
LKEQUAKZEFUZBG-PEZBUJJGSA-N- Molecular formula
- C38H74O2
- Average molar mass
- 563 g/mol
- Monoisotopic mass
- 562.5688816
Names & identifiers
- Preferred name
- Behenyl palmitoleate
- IUPAC
- docosyl (Z)-hexadec-9-enoate
Names & synonyms
Behenyl palmitoleateUNII-I87IGV0JLUI87IGV0JLU9Z-Hexadecenoic acid, docosyl esterdocosanyl 9Z-hexadecenoate158907-91-6docosyl 9Z-hexadecenoateWE(22:0/16:1(9Z))RefChem:116892Hexadec-9-enoic acid docosyl ester, ZSCHEMBL30028938LKEQUAKZEFUZBG-PEZBUJJGSA-N
Show more names
DTXSID301377025LMFA07010026WE 22:0/16:1(9Z)Q27280563WE(22:0/16:1(9Z)); docosyl 9Z-hexadecenoate; Behenyl palmitoleate
Database identifiers
- CAS
158907-91-6- PubChem CID
- 52922012
- DTXSID
DTXSID301377025- UNII
- I87IGV0JLU
- Nikkaji
- J3.312.681F
Properties
Computed structural properties
- XLogP
- 17.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 35
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 498
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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