Cubeban-11-ol
PubChem CID: 91704131
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| Compound Synonyms | Cubeban-11-ol, UDKJLEWHLZPFOR-UHFFFAOYSA-N, Q67879813, 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene-4-methanol, octahydro-.alpha.,.alpha.,3,7-tetramethyl-, (3R,3aR,3bS,4R,7R,7aS)- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4,10-dimethyl-7-tricyclo[4.4.0.01,5]decanyl)propan-2-ol |
| Prediction Hob | 0.0 |
| Xlogp | 3.9 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UDKJLEWHLZPFOR-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.668 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.517 |
| Compound Name | Cubeban-11-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6349064 |
| Inchi | InChI=1S/C15H26O/c1-9-7-8-15-10(2)5-6-11(14(3,4)16)13(15)12(9)15/h9-13,16H,5-8H2,1-4H3 |
| Smiles | CC1CCC23C1C2C(CCC3C)C(C)(C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients