Basic information
- Standard SMILES
CCCCCCC(C=O)=Cc1ccccc1- InChIKey
GUUHFMWKWLOQMM-UHFFFAOYSA-N- Molecular formula
- C15H20O
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.15141526
Overview
See also: alpha-Hexylcinnamaldehyde (annotation moved to).
Names & identifiers
- Preferred name
- 2-(Phenylmethylene)octanal
- IUPAC
- 2-benzylideneoctanal
Names & synonyms
2-(Phenylmethylidene)octanal2-(Phenylmethylene)octanalDTXSID4026684.alpha.-Hexylcinnamaldehydea-hexylcinnamaldehyde2-Phenylmethyleneoctanalalpha-hexyl-cinnamaidehydealpha-hexyl-cinnamaldehyde2-(Phenylmethylene)-octanaalpha-n-hexyl cinnamaldehydeSCHEMBL113171CHEMBL3183766
Show more names
AKOS028108454NCGC00247907-01NS00002490F868715
Database identifiers
- CAS
101-86-0- PubChem CID
- 7585
- DTXSID
DTXSID4026684- ChEMBL
CHEMBL3183766
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Experimental & physicochemical properties
FragrancesFragrance
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
16 records
Linked notes
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