(4aR,8aR)-4a,8a-dimethyl-4-methylidene-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene
PubChem CID: 162859862
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4aR,8aR)-4a,8a-dimethyl-4-methylidene-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C16H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CBSRFDQDBGGSEA-HZPDHXFCSA-N |
| Fcsp3 | 0.75 |
| Logs | -4.83 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.027 |
| Compound Name | (4aR,8aR)-4a,8a-dimethyl-4-methylidene-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 218.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.482580799999999 |
| Inchi | InChI=1S/C16H26/c1-12(2)14-8-10-15(4)9-6-7-13(3)16(15,5)11-14/h3,6-11H2,1-2,4-5H3/t15-,16-/m1/s1 |
| Smiles | CC(=C1CC[C@]2(CCCC(=C)[C@]2(C1)C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alstonia Muelleriana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Cina (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Coreopsis Nodosa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Dacrydium Cupressinum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Glycine Tomentella (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Haematococcus Lacustris (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Nicotiana Undulata (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Panax Schinseng (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Passiflora Incarnata (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Senecio Paludaffinis (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Trigonella Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Tripolium Pannonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Uvaria Calamistrata (Plant) Rel Props:Source_db:cmaup_ingredients