Basic information
- CAS
59822-16-1- Standard SMILES
CCOC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C- InChIKey
MCLZSZQLOAXPSX-UHFFFAOYSA-N- Molecular formula
- C19H32O2
- Average molar mass
- 292.5 g/mol
- Monoisotopic mass
- 292.24023026
Names & identifiers
- Preferred name
- Ethyl 5,9,13-trimethyltetradeca-4,8,12-trienoate
- IUPAC
- ethyl 5,9,13-trimethyltetradeca-4,8,12-trienoate
- English name
- 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, ethyl ester, (4E,8E)-
- Molecular formula
- C19H32O2
- Molecular weight
- 292.46
Names & synonyms
ethyl 5,9,13-trimethyltetradeca-4,8,12-trienoateDTXSID0030077959822-16-1RefChem:344128DTXCID00251914ethyl farnesylacetateSCHEMBL9414526ethyl (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate(4E,8E)-ethyl 5,9,13-trimethyltetradeca-4,8,12-trienoate4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, ethyl ester, (4E,8E)-
Database identifiers
- CAS
59822-16-1- PubChem CID
- 283754
- DTXSID
DTXSID00300779
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Boiling point
- 364.6 · 364.6±21.0 °C(Predicted)
- Density
- 0.897 · 0.897±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…