5-(Z-heptadec-8-enyl) resorcinol
PubChem CID: 14235910
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| Compound Synonyms | 5-(Z-heptadec-8-enyl) resorcinol, 52483-19-9, 5-Heptadec-cis-8-enylresorcinol, (Z)-5-(heptadec-8-en-1-yl)resorcinol, 5-[(Z)-heptadec-8-enyl]benzene-1,3-diol, (Z)-5-(heptadec-8-en-1-yl)benzene-1,3-diol, 5-(Z-Heptadec-8-enyl)resorcinol, CHEMBL462807, SCHEMBL25867630, 5-(Z-heptadec-8-enyl) resorcil, HY-N2646, LMPK15030024, AKOS040762815, FS-9969, CS-0023064, 5-[(8Z)-Heptadec-8-en-1-yl]benzene-1,3-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 303.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(Z)-heptadec-8-enyl]benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 9.2 |
| Molecular Formula | C23H38O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DQSWQRFGZIJUCI-KTKRTIGZSA-N |
| Fcsp3 | 0.6521739130434783 |
| Logs | -2.776 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.862 |
| Compound Name | 5-(Z-heptadec-8-enyl) resorcinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 346.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 346.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.972240999999999 |
| Inchi | InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h9-10,18-20,24-25H,2-8,11-17H2,1H3/b10-9- |
| Smiles | CCCCCCCC/C=C\CCCCCCCC1=CC(=CC(=C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Embelia Ribes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all