Basic information
- CAS
86426-73-5- Standard SMILES
CCCCC#CCCCCCCCCCC=O- InChIKey
CJULORNYMKTGAE-UHFFFAOYSA-N- Molecular formula
- C16H28O
- Average molar mass
- 236.39 g/mol
- Monoisotopic mass
- 236.21401551
Overview
11-Hexadecynal is a monounsaturated fatty aldehyde.
Names & identifiers
- Preferred name
- 11-Hexadecynal
- IUPAC
- hexadec-11-ynal
Names & synonyms
11-HexadecynalDTXSID7088083686426-73-5RefChem:77868DTXCID401022188hexadec-11-ynalSCHEMBL1300728CHEBI:196156CJULORNYMKTGAE-UHFFFAOYSA-NLMFA06000227NS00095896
Database identifiers
- CAS
86426-73-5- PubChem CID
- 557017
- DTXSID
DTXSID70880836- ChEBI
CHEBI:196156- Nikkaji
- J1.785.564F
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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