(1R,3aS,4R,7R,8aR)-1,4-Dimethyl-1,2,3,3a,4,7,8,8a-octahydro-4,7-ethanoazulene
PubChem CID: 91700424
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| Compound Synonyms | Norrotundene, CFEBVBFXLFAFIO-UHFFFAOYSA-N, (1R,3aS,4R,7R,8aR)-1,4-Dimethyl-1,2,3,3a,4,7,8,8a-octahydro-4,7-ethanoazulene, 4,7-Ethanoazulene, 1,2,3,3a,4,7,8,8a-octahydro-1,4-dimethyl-, (1R,3aS,4R,7R,8aR)-, 4,7-Ethenoazulene, 1,2,3,3a,4,5,6,7,8,8a-decahydro-1,4-dimethyl-, (1R,3aS,4R,7R,8aR)- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 265.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5-dimethyltricyclo[6.2.2.02,6]dodec-9-ene |
| Prediction Hob | 0.0 |
| Xlogp | 5.1 |
| Molecular Formula | C14H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CFEBVBFXLFAFIO-UHFFFAOYSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -5.794 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.646 |
| Compound Name | (1R,3aS,4R,7R,8aR)-1,4-Dimethyl-1,2,3,3a,4,7,8,8a-octahydro-4,7-ethanoazulene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 190.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2141459999999995 |
| Inchi | InChI=1S/C14H22/c1-10-3-4-13-12(10)9-11-5-7-14(13,2)8-6-11/h5,7,10-13H,3-4,6,8-9H2,1-2H3 |
| Smiles | CC1CCC2C1CC3CCC2(C=C3)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