Linolenyl alcohol
PubChem CID: 6436081
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| Compound Synonyms | Linolenyl alcohol, 506-44-5, (9Z,12Z,15Z)-9,12,15-Octadecatrien-1-ol, (9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol, linolenic alcohol, UNII-YC8DMO65R7, YC8DMO65R7, (Z,Z,Z)-9,12,15-Octadecatrien-1-ol, EINECS 208-039-7, 9,12,15-Octadecatrien-1-ol, (9Z,12Z,15Z)-, 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)-, CHEBI:77474, DTXSID80880766, LINOLENYL ALCOHOL [USP-RS], (9Z,12Z,15Z)-octadecatrien-1-ol, (9Z,12Z,15Z)-1-octadecatrienol, all-cis-9,12,15-octadecatrien-1-ol, (9Z,12Z,15Z)-octadecatrienyl alcohol, cis,cis,cis-9,12,15-octadecatrien-1-ol, CIS,CIS,CIS-9,12,15-OCTADECATRIENOL, LINOLENYL ALCOHOL (USP-RS), SCHEMBL59807, DTXCID701022125, HY-W782391, DB-247200, DB-372150, CS-0857110, NS00042892, (9E,12E,15E)-9,12,15-Octadecatrien-1-ol #, Q27147009 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 238.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C18H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IKYKEVDKGZYRMQ-PDBXOOCHSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.241 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.477 |
| Compound Name | Linolenyl alcohol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 264.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.804808599999999 |
| Inchi | InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9- |
| Smiles | CC/C=C\C/C=C\C/C=C\CCCCCCCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients