Basic information
- CAS
72928-45-1- Standard SMILES
C=CC(C)(CCC=C(C)C)OC(=O)c1ccccc1N=CC(=Cc1ccccc1)CCCCCC- InChIKey
FFYKJGASIBFVHC-UHFFFAOYSA-N- Molecular formula
- C32H41NO2
- Average molar mass
- 471.7 g/mol
- Monoisotopic mass
- 471.31372955
Names & identifiers
- Preferred name
- 1-Ethenyl-1,5-dimethyl-4-hexen-1-yl 2-[[2-(phenylmethylene)octylidene]amino]benzoate
- IUPAC
- 3,7-dimethylocta-1,6-dien-3-yl 2-(2-benzylideneoctylideneamino)benzoate
Names & synonyms
72928-45-11-Ethenyl-1,5-dimethyl-4-hexen-1-yl 2-((2-(phenylmethylene)octylidene)amino)benzoate1-Ethenyl-1,5-dimethyl-4-hexen-1-yl 2-[[2-(phenylmethylene)octylidene]amino]benzoateRefChem:230023DTXSID00868203FFYKJGASIBFVHC-UHFFFAOYSA-NBenzoic acid, 2-[[2-(phenylmethylene)octylidene]amino]-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl esterNS000600183,7-Dimethylocta-1,6-dien-3-yl 2-[(2-benzylideneoctylidene)amino]benzoate
Database identifiers
- CAS
72928-45-1- PubChem CID
- 166369
- DTXSID
DTXSID00868203- EC Number
- 277-074-8
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 724
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzoic acid, 2-[[2-(phenylmethylene)octylidene]amino]-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-[[2-(phenylmethylene)octylidene]amino]-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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