[6-(N-ethylanilino)-2,3-dimethylhex-1-en-4-yn-3-yl] acetate
Basic information
- CAS
6383-64-8- Standard SMILES
C=C(C)C(C)(C#CCN(CC)c1ccccc1)OC(C)=O- InChIKey
JEMATAHMMILYAX-UHFFFAOYSA-N- Molecular formula
- C18H23NO2
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.17287898
Names & identifiers
- Preferred name
- [6-(N-ethylanilino)-2,3-dimethylhex-1-en-4-yn-3-yl] acetate
- IUPAC
- [6-(N-ethylanilino)-2,3-dimethylhex-1-en-4-yn-3-yl] acetate
Names & synonyms
6383-64-8DTXSID609804106-[ETHYL(PHENYL)AMINO]-2,3-DIMETHYLHEX-1-EN-4-YN-3-YL ACETATE
Database identifiers
- CAS
6383-64-8- PubChem CID
- 5212422
- DTXSID
DTXSID60980410
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…