6,6,9-Trimethyl-3-pentyl-1,2,3,4-tetrahydrobenzo[c]chromen-1-ol
PubChem CID: 521727
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL5333795, SJQJFSCMYCROHP-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 451.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,6,9-trimethyl-3-pentyl-1,2,3,4-tetrahydrobenzo[c]chromen-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C21H30O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SJQJFSCMYCROHP-UHFFFAOYSA-N |
| Fcsp3 | 0.6190476190476191 |
| Logs | -5.004 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.379 |
| Compound Name | 6,6,9-Trimethyl-3-pentyl-1,2,3,4-tetrahydrobenzo[c]chromen-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 314.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 314.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.85615127826087 |
| Inchi | InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-11,15,18,22H,5-8,12-13H2,1-4H3 |
| Smiles | CCCCCC1CC(C2=C(C1)OC(C3=C2C=C(C=C3)C)(C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients