Bicyclo(2.2.1)heptan-2-ol, exo-
PubChem CID: 12313474
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| Compound Synonyms | Bicyclo[2.2.1]heptan-2-ol, exo-, endo-Norborneol, exo-Norbornanol, exo-Norborneol, exo-2-Norborneol, 2-exo-Norbornanol, exo-2-Norbornanol, Bicyclo(2.2.1)heptan-2-ol, exo-, exo-Norbornyl alcohol, 2-Norbornanol, exo-, exo-2-Norbornyl alcohol, NSC 167460, 2-exo-Norborneol, SCHEMBL3190520 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC1C2 |
| Deep Smiles | O[C@H]CCCC5CC5 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2CCC1C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-bicyclo[2.2.1]heptan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H12O |
| Scaffold Graph Node Bond Level | C1CC2CCC1C2 |
| Inchi Key | ZQTYQMYDIHMKQB-AHXFUIDQSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | endo-2-norborneol |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | Bicyclo(2.2.1)heptan-2-ol, exo- |
| Exact Mass | 112.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 112.17 |
| Gi Absorption | True |
| 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/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5?,6?,7-/m0/s1 |
| Smiles | C1CC2CC1C[C@@H]2O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1564381