Linoleoyl chloride
PubChem CID: 9817754
Connections displayed (default: 10).
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| Compound Synonyms | Linoleoyl chloride, 7459-33-8, Linoleic acid chloride, Lineoleoyl chloride, (9Z,12Z)-Octadeca-9,12-dienoyl chloride, LINOLEOYLCHLORIDE, 9,12-Octadecadienoyl chloride, (Z,Z)-, R0E0WI3SP3, EINECS 231-233-8, UNII-R0E0WI3SP3, NSC 162219, DTXSID30880877, MFCD00151403, NSC-162219, 9,12-Octadecadienoyl chloride, (9Z,12Z)-, (9Z,12Z)-9,12-Octadecadienoyl Chloride, (Z,Z)-9,12-Octadecadienoyl Chloride, (Z,Z)-Octadeca-9,12-dienoyl Chloride, Linoleic Acid Chloride, linolic acid chloride, SCHEMBL118170, DTXCID201022225, Delta 9-12 Octadecadienoyl chloride, Linoleoyl chloride, >=99%, liquid, (Z,Z)-9,12-octadecadienoyl chloride, AKOS024386304, HY-W127574, AS-84990, 9,12-Octadecadienoylchloride,(9Z,12Z)-, L0113, NS00047389, (9E,12E)-9,12-Octadecadienoyl chloride #, T72900, 231-233-8 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 269.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9Z,12Z)-octadeca-9,12-dienoyl chloride |
| Prediction Hob | 1.0 |
| Xlogp | 7.6 |
| Molecular Formula | C18H31ClO |
| Prediction Swissadme | 0.0 |
| Inchi Key | FBWMYSQUTZRHAT-HZJYTTRNSA-N |
| Fcsp3 | 0.7222222222222222 |
| Logs | -3.656 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.451 |
| Compound Name | Linoleoyl chloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.206 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.206 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 298.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.7839675999999995 |
| Inchi | InChI=1S/C18H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3/b7-6-,10-9- |
| Smiles | CCCCC/C=C\C/C=C\CCCCCCCC(=O)Cl |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuisfolia (Plant) Rel Props:Source_db:cmaup_ingredients