2-Methylnorbornane
PubChem CID: 136674
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| Compound Synonyms | 2-Methylnorbornane, 2-Methylbicyclo[2.2.1]heptane, Norbornane, 2-methyl-, 15185-11-2, Bicyclo[2.2.1]heptane, 2-methyl-, Bicyclo[2.2.1]heptane, 2-methyl-, exo-, endo-2-Methylnorbornane, Bicyclo(2.2.1)heptane, 2-methyl-, exo-, Norbornane, 2-methyl-, exo-, 2-Methylnorbornan, 872-78-6, DTXSID40934350, KWSARSUDWPZTFF-UHFFFAOYSA-N |
|---|---|
| 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 | C1CC2CCC1C2 |
| Deep Smiles | CCCCCC5CC5 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2CCC1C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylbicyclo[2.2.1]heptane |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H14 |
| Scaffold Graph Node Bond Level | C1CC2CCC1C2 |
| Inchi Key | KWSARSUDWPZTFF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | bicyclo[2,2,1]heptane 2-methyl- |
| Esol Class | Soluble |
| Compound Name | 2-Methylnorbornane |
| Exact Mass | 110.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 110.2 |
| 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/C8H14/c1-6-4-7-2-3-8(6)5-7/h6-8H,2-5H2,1H3 |
| Smiles | CC1CC2CCC1C2 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Nepeta Nuda (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1407678