(1R,3E,5S,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-en-5-ol
PubChem CID: 162863655
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,3E,5S,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-en-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DWUYGFWOANEJRE-BTCPNLIFSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.341 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.055 |
| Compound Name | (1R,3E,5S,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-en-5-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.1466072 |
| Inchi | InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,12-14,16H,1,6-9H2,2-4H3/b11-5+/t12-,13+,14-/m0/s1 |
| Smiles | C/C/1=C\C[C@@H]2[C@@H](CC2(C)C)C(=C)CC[C@@H]1O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cissampelos Pareira (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Onopordum Illyricum (Plant) Rel Props:Source_db:cmaup_ingredients