Isopropyl Linoleate
PubChem CID: 5352860
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| Compound Synonyms | Isopropyl linoleate, 22882-95-7, Ceraphyl IPL, Isopropyl linolate, Linoleic acid, isopropyl ester, Linoleic Acid Isopropyl Ester, 1-Methylethyl-9,12-octadecadienoate, 9,12-Octadecadienoic acid (Z,Z)-, 1-methylethyl ester, UNII-4MW1E9AT4H, EINECS 245-289-6, 4MW1E9AT4H, BRN 1880297, NIKKOL VF-IP, 9,12-Octadecadienoic acid, 1-methylethyl ester, AEC ISOPROPYL LINOLEATE, 9,12-OCTADECADIENOIC ACID (9Z,12Z)-, 1-METHYLETHYL ESTER 9,12-OCTADECADIENOIC ACID (9Z,12Z)-, 1-METHYLETHYL ESTER, ISOPROPYLLINOLEATE, Isopropyl (9Z,12Z)-octadeca-9,12-dienoate, propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate, SCHEMBL43113, ISOPROPYL LINOLEATE [INCI], MFCD00053809, HY-W127420, CS-0185654, L0139, NS00013787, Isopropyl (9Z,12Z)-9,12-octadecadienoate #, Q27260149, 245-289-6 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | XEIOPEQGDSYOIH-MURFETPASA-N |
| Rotatable Bond Count | 16.0 |
| Heavy Atom Count | 23.0 |
| Compound Name | Isopropyl Linoleate |
| Exact Mass | 322.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.287 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 322.5 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C21H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h8-9,11-12,20H,4-7,10,13-19H2,1-3H3/b9-8-,12-11- |
| Smiles | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(C)C |
| Xlogp | 7.7 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C21H38O2 |
- 1. Outgoing r'ship
FOUND_INto/from Diplazium Esculentum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Fagopyrum Esculentum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Lycopersicon Lycopersicum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Lycopersicum Esculentum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Oxystelma Esculentum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Pteridium Esculentum (Plant) Rel Props:Reference: