(3R,3aS,5aS,8aS)-3,5a,7-trimethyl-8-methylene-1,2,3,3a,4,5,5a,8-octahydrocyclopenta[c]pentalene
PubChem CID: 85238955
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| Compound Synonyms | Silphiperfola-4,7(14)-diene, WBXUOIDEYMLLNE-UHFFFAOYSA-N, (3R,3aS,5aS,8aS)-3,5a,7-trimethyl-8-methylene-1,2,3,3a,4,5,5a,8-octahydrocyclopenta[c]pentalene, Cyclopenta[c]pentalene, 1,3a,4,5,5a,6,7,8-octahydro-2,3a,6-trimethyl-1-methylene-, (3aS,5aS,6R,8aS)- |
|---|---|
| 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 | CC1CCC2CCC3CCCC132 |
| Np Classifier Class | Silphiperfolane sesquiterpenoids |
| Deep Smiles | CCCCCC5CCC5C)C=CC8=C))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCC2CCC3CCCC132 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 362.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,9-trimethyl-2-methylidenetricyclo[6.3.0.01,5]undec-3-ene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H22 |
| Scaffold Graph Node Bond Level | C=C1C=CC2CCC3CCCC123 |
| Inchi Key | WBXUOIDEYMLLNE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | silphiperfol-4,7(14)-diene |
| Esol Class | Soluble |
| Functional Groups | C=C1CCC=C1C |
| Compound Name | (3R,3aS,5aS,8aS)-3,5a,7-trimethyl-8-methylene-1,2,3,3a,4,5,5a,8-octahydrocyclopenta[c]pentalene |
| Exact Mass | 202.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 202.33 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H22/c1-10-5-8-15-12(3)11(2)9-14(15,4)7-6-13(10)15/h9-10,13H,3,5-8H2,1-2,4H3 |
| Smiles | CC1CCC23C1CCC2(C=C(C3=C)C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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