Basic information
- CAS
19894-78-1- Standard SMILES
CCOC(=O)C(C/C=C(\C)CCC=C(C)C)C(C)=O- InChIKey
BYPQAGFTLOOIJF-JLHYYAGUSA-N- Molecular formula
- C16H26O3
- Average molar mass
- 266.38 g/mol
Names & identifiers
- Preferred name
- 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester, (E)-
- IUPAC
- ethyl (4E)-2-acetyl-5,9-dimethyldeca-4,8-dienoate
- English name
- 4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester, (E)-
- Molecular formula
- C16H26O3
- Molecular weight
- 266.38
Names & synonyms
BYPQAGFTLOOIJF-JLHYYAGUSA-NEthyl (4E)-2-acetyl-5,9-dimethyl-4,8-decadienoate #4,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester, (E)-19894-78-14,8-Decadienoic acid, 2-acetyl-5,9-dimethyl-, ethyl ester, (4E)-
Database identifiers
- CAS
19894-78-1- Nikkaji
- J3.336.840B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 169 · 169-172 °C(Press: 6 Torr)
- Density
- 0.949 · 0.949±0.06 g/cm3(Predicted)
- pka
- 11.34 · 11.34±0.59(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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