(1S,2S,5R,6S,8R)-1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene
PubChem CID: 162999184
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,2S,5R,6S,8R)-1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene |
| Prediction Hob | 0.0 |
| Xlogp | 5.0 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XAAMMPKFMNZIIC-JSFFLRCESA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -4.922 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.653 |
| Compound Name | (1S,2S,5R,6S,8R)-1,5,9-trimethyltricyclo[6.2.2.02,6]dodec-9-ene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2507133999999995 |
| Inchi | InChI=1S/C15H24/c1-10-4-5-14-13(10)8-12-6-7-15(14,3)9-11(12)2/h9-10,12-14H,4-8H2,1-3H3/t10-,12-,13+,14+,15-/m1/s1 |
| Smiles | C[C@@H]1CC[C@H]2[C@H]1C[C@H]3CC[C@@]2(C=C3C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients