10'(Z),13'(E)-Heptadecadienylhydroquinone
PubChem CID: 10991557
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| Compound Synonyms | 10'(Z),13'(E)-Heptadecadienylhydroquinone, 2-[(10Z,13E)-heptadeca-10,13-dienyl]benzene-1,4-diol, 2-((10Z,13E)-heptadeca-10,13-dienyl)benzene-1,4-diol, CHEMBL464639, ZFBPWHPPYONXTQ-HTKRNXBHSA-N |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(10Z,13E)-heptadeca-10,13-dienyl]benzene-1,4-diol |
| Prediction Hob | 0.0 |
| Xlogp | 8.5 |
| Molecular Formula | C23H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZFBPWHPPYONXTQ-HTKRNXBHSA-N |
| Fcsp3 | 0.5652173913043478 |
| Logs | -2.889 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.863 |
| Compound Name | 10'(Z),13'(E)-Heptadecadienylhydroquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 344.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -6.591041799999998 |
| Inchi | InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-20-22(24)18-19-23(21)25/h4-5,7-8,18-20,24-25H,2-3,6,9-17H2,1H3/b5-4+,8-7- |
| Smiles | CCC/C=C/C/C=C\CCCCCCCCCC1=C(C=CC(=C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Toxicodendron Succedaneum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all