(8aR,9S)-5,7,7-trimethyl-6,8,8a,9-tetrahydro-4H-azuleno[5,6-c]furan-9-ol
PubChem CID: 10466485
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| Topological Polar Surface Area | 33.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (8aR,9S)-5,7,7-trimethyl-6,8,8a,9-tetrahydro-4H-azuleno[5,6-c]furan-9-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C15H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZWRLWJAFBLTMSQ-OCCSQVGLSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.887 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.484 |
| Compound Name | (8aR,9S)-5,7,7-trimethyl-6,8,8a,9-tetrahydro-4H-azuleno[5,6-c]furan-9-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8147496588235295 |
| Inchi | InChI=1S/C15H20O2/c1-9-4-10-7-17-8-13(10)14(16)12-6-15(2,3)5-11(9)12/h7-8,12,14,16H,4-6H2,1-3H3/t12-,14+/m1/s1 |
| Smiles | CC1=C2CC(C[C@H]2[C@@H](C3=COC=C3C1)O)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Supina (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Stephania Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients