Seychellene
PubChem CID: 519743
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| Compound Synonyms | Seychellene, 3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane, 1,6-Methanonaphthalene, decahydro-1,4,8a-trimethyl-9-methylene-, (1S,4S,4aS,6R,8aS)-(-)-, 1,6-Methanonaphthalene, decahydro-1,4,8a-trimethyl-9-methylene-, *1S-(1.alpha.,4.alpha.,4a.beta.,6.alpha, 3,6,8-trimethyl-2-methylidenetricyclo(5.3.1.03,8)undecane, 20085-93-2, NS00076553, 1,6-Methanonaphthalene, decahydro-1,4,8a-trimethyl-9-methylene-, *1S-(1alpha,4alpha,4abeta,6.alpha |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCC3C(CCCC13)C2 |
| Np Classifier Class | Rotundane sesquiterpenoids |
| Deep Smiles | CCCCCCC6CCC6=C))CC6)))))C))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | CC1C2CCC3C(CCCC13)C2 |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24 |
| Scaffold Graph Node Bond Level | C=C1C2CCC3C(CCCC13)C2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QQWUXXGYAQMTAT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.801 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.455 |
| Synonyms | seychallene, seychellen, seychellene |
| Esol Class | Moderately soluble |
| Functional Groups | C=C(C)C |
| Compound Name | Seychellene |
| 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 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.3074134 |
| Inchi | InChI=1S/C15H24/c1-10-5-7-14(3)11(2)12-6-8-15(14,4)13(10)9-12/h10,12-13H,2,5-9H2,1,3-4H3 |
| Smiles | CC1CCC2(C(=C)C3CCC2(C1C3)C)C |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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