Basic information
- CAS
117345-89-8- Standard SMILES
CCCCC=C=CCCC(=O)NCC(C)C- InChIKey
MDXLCORVQOOIIY-UHFFFAOYSA-N- Molecular formula
- C14H25NO
- Average molar mass
- 223.35 g/mol
- Monoisotopic mass
- 223.19361442
Names & identifiers
- Preferred name
- N-(2-methylpropyl)deca-4,5-dienamide
- IUPAC
- N-(2-methylpropyl)deca-4,5-dienamide
- English name
- N-(2-Methylpropyl)-4,5-decadienamide
- Molecular formula
- C14H25NO
- Molecular weight
- 223.35
Names & synonyms
N-(2-methylpropyl)deca-4,5-dienamide117345-89-8N-Isobutyl-4,5-decadienamideN-(2-Methylpropyl)-4,5-decadienamideDTXSID20151765gamma,delta-Decadienamide, N-isobutyl-IsobutyldecadienaMide, N-(2e,4e)-4,5-Decadienamide, N-(2-methylpropyl)-
Database identifiers
- CAS
117345-89-8- PubChem CID
- 189490
- DTXSID
DTXSID20151765
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 363.1 · 363.1±12.0 °C(Predicted)
- Density
- 0.864 · 0.864
- pka
- 16.35 · 16.35±0.46(Predicted)
Chemistry & industry
Suppliers2 total
上海佰世凯生物科技有限公司021-20908456 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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