(1R,2E,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carbaldehyde
PubChem CID: 162966445
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,2E,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C20H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JJPNQFMBGBBAQG-XQOIACJJSA-N |
| Fcsp3 | 0.65 |
| Logs | -6.104 |
| Rotatable Bond Count | 1.0 |
| Logd | 5.052 |
| Compound Name | (1R,2E,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 286.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.517345799999999 |
| Inchi | InChI=1S/C20H30O/c1-15-7-5-8-16(2)11-12-18-19(20(18,3)4)13-17(14-21)10-6-9-15/h8-9,13-14,18-19H,5-7,10-12H2,1-4H3/b15-9+,16-8+,17-13+/t18-,19-/m1/s1 |
| Smiles | C/C/1=C\CC/C(=C\[C@@H]2[C@H](C2(C)C)CC/C(=C/CC1)/C)/C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acridocarpus Vivy (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Syneilesis Palmata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Uncaria Donisii (Plant) Rel Props:Source_db:cmaup_ingredients