Propan-2-yl Icosa-5,8,11,14-tetraenoate
Basic information
- CAS
119524-26-4- Standard SMILES
CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(C)C- InChIKey
DAFUJHDDFPOEKD-UHFFFAOYSA-N- Molecular formula
- C23H38O2
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.28718045
Names & identifiers
- Preferred name
- Propan-2-yl Icosa-5,8,11,14-tetraenoate
- IUPAC
- propan-2-yl icosa-5,8,11,14-tetraenoate
- English name
- Arachidonic acid isopropyl ester
- Molecular formula
- C23H38O2
- Molecular weight
- 346.55
Names & synonyms
Propan-2-yl Icosa-5,8,11,14-tetraenoate119524-26-4isopropyl arachidonateSCHEMBL3662637DTXSID70274357Arachidonic acid isopropyl ester5,8,11,14-Eicosatetraenoic acid, 1-methylethyl ester, (5Z,8Z,11Z,14Z)-
Database identifiers
- CAS
119524-26-4- PubChem CID
- 2221
- DTXSID
DTXSID70274357
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Boiling point
- 428.2 · 428.2±34.0 °C(Predicted)
- Density
- 0.896 · 0.896±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- RIDADR
- 2845 · 2845
- HazardClass
- 4.2 · 4.2
- PackingGroup
- I
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 2845
- hazard_class
- 4.2
- packing_group
- I
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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