1,3-Benzenediol, 2-methyl-5-(8-tridecenyl)-, (Z)-
PubChem CID: 6440454
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| Compound Synonyms | 72629-62-0, 2-methyl-5-[(Z)-tridec-8-enyl]benzene-1,3-diol, 1,3-Benzenediol, 2-methyl-5-(8-tridecenyl)-, (Z)- |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-5-[(Z)-tridec-8-enyl]benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.4 |
| Molecular Formula | C20H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AAFWHAONVYRTMW-SREVYHEPSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.153 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.574 |
| Compound Name | 1,3-Benzenediol, 2-methyl-5-(8-tridecenyl)-, (Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 304.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.865556981818181 |
| Inchi | InChI=1S/C20H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-15-19(21)17(2)20(22)16-18/h6-7,15-16,21-22H,3-5,8-14H2,1-2H3/b7-6- |
| Smiles | CCCC/C=C\CCCCCCCC1=CC(=C(C(=C1)O)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ardisia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients