rel-(1R,3aS,4R,7R,8aR)-1,4-dimethyl-6-methylenedecahydro-4,7-ethanoazulene
PubChem CID: 636596
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| Compound Synonyms | 1,5-Dimethyl-9-methylene-tricyclo[6.2.2.0^(2,6)]dodecane, 4,7-ethanoazulene, decahydro-1,4-dimethyl-6-methylene-, (1R,3aS,4R,7R,8aR)-, rel-(1R,3aS,4R,7R,8aR)-1,4-dimethyl-6-methylenedecahydro-4,7-ethanoazulene, InChI=1/C15H24/c1-10-4-5-14-13(10)8-12-6-7-15(14,3)9-11(12)2/h10,12-14H,2,4-9H2,1,3H3/t10-,12-,13-,14+,15-/m1/s |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 290.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,2S,5R,6R,8R)-1,5-dimethyl-9-methylidenetricyclo[6.2.2.02,6]dodecane |
| Prediction Hob | 0.0 |
| Xlogp | 5.0 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NPHFULIVCUBDDN-DVLUHMITSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.329 |
| Rotatable Bond Count | 0.0 |
| Logd | 5.25 |
| Compound Name | rel-(1R,3aS,4R,7R,8aR)-1,4-dimethyl-6-methylenedecahydro-4,7-ethanoazulene |
| 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 | -4.257013399999999 |
| Inchi | InChI=1S/C15H24/c1-10-4-5-14-13(10)8-12-6-7-15(14,3)9-11(12)2/h10,12-14H,2,4-9H2,1,3H3/t10-,12-,13-,14+,15-/m1/s1 |
| Smiles | C[C@@H]1CC[C@H]2[C@@H]1C[C@H]3CC[C@@]2(CC3=C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients