2,6-Dimethylbicyclo[3.2.1]octane
PubChem CID: 557178
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| Compound Synonyms | 2,6-Dimethylbicyclo[3.2.1]octane, DRLUAQMFPMRPMU-UHFFFAOYSA-N, 2,6-dimethylbicyclo [3,2,1]octane |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC(C1)C2 |
| Np Classifier Class | Rotundane sesquiterpenoids |
| Deep Smiles | CCCCCCC6CC5C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Polycyclic hydrocarbons |
| Scaffold Graph Node Level | C1CC2CCC(C1)C2 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethylbicyclo[3.2.1]octane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18 |
| Scaffold Graph Node Bond Level | C1CC2CCC(C1)C2 |
| Inchi Key | DRLUAQMFPMRPMU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,6-dimethylbicyclo[3,2,1]octane |
| Esol Class | Soluble |
| Compound Name | 2,6-Dimethylbicyclo[3.2.1]octane |
| Exact Mass | 138.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 138.25 |
| 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/C10H18/c1-7-3-4-9-6-10(7)5-8(9)2/h7-10H,3-6H2,1-2H3 |
| Smiles | CC1CCC2CC1CC2C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Nepeta Nuda (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1407678