(-)-alpha-Neoclovene
PubChem CID: 15973057
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| Compound Synonyms | (-)-alpha-Neoclovene, (1S,6S,7R)-2,6,8,8-Tetramethyltricyclo[5.2.2.01,6]undec-2-ene, 4545-68-0, .alpha.-Clovene, DTXSID20746610 |
|---|---|
| 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 | C1CCC23CCC(CC2)C3C1 |
| Np Classifier Class | Clovane sesquiterpenoids |
| Deep Smiles | CC=CCC[C@@][C@]6CC[C@@H]5CC6)C)C))))))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC23CCC(CC2)C3C1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24 |
| Scaffold Graph Node Bond Level | C1=CC23CCC(CC2)C3CC1 |
| Inchi Key | ZCJQJJWNFDNQGZ-SNPRPXQTSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | alpha-neoclovene, neoclovenes,alpha-, α-neo-clovene, α-neoclovene, α-neoclovene* |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C |
| Compound Name | (-)-alpha-Neoclovene |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12-,14+,15+/m1/s1 |
| Smiles | CC1=CCC[C@@]2([C@]13CC[C@@H]2C(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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