(5S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-2-ene
PubChem CID: 5315976
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | MKZIRHIVARSBHI-GRTSSRMGSA-N |
| Fcsp3 | 0.8666666666666667 |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Compound Name | (5S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-2-ene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-2-ene |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.7358134 |
| Inchi | InChI=1S/C15H24/c1-13(2)9-10-15-7-4-6-14(3,11-15)8-5-12(13)15/h9-10,12H,4-8,11H2,1-3H3/t12-,14?,15?/m0/s1 |
| Smiles | CC1(C=CC23[C@H]1CCC(C2)(CCC3)C)C |
| Xlogp | 5.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H24 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients