1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
PubChem CID: 529885
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol, exo-2-Hydroxycineole, 18679-48-6, 2-Hydroxycineol, 2-Hydroxy-1,8-cineole, trans-2-Hydroxy-1,8-cineole, 60761-00-4, 2-Hydroxycineole, exo-, 2.alpha.-Hydroxy-1,8-cineole, 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-ol, SCHEMBL10775101, DTXSID00336199, 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol, (1.alpha.,4.alpha.,6.beta.)-, CHEBI:180208, YVCUGZBVCHODNB-UHFFFAOYSA-N, KCA76100, NS00116205, C20326, 1,3,3-trimethyl-2-oxabicyclo [2.2.2]octan-6-ol, 2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC1CC2 |
| Np Classifier Class | Menthane monoterpenoids, Monocyclic monoterpenoids |
| Deep Smiles | OCCCCCC6C)OC6C)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Oxanes |
| Scaffold Graph Node Level | C1CC2CCC1CO2 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 200.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol |
| Class | Oxanes |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.2 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O2 |
| Scaffold Graph Node Bond Level | C1CC2CCC1CO2 |
| Inchi Key | YVCUGZBVCHODNB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-Hydroxy-1,8-cineole, 2-hydroxy-1,8-cineole |
| Esol Class | Very soluble |
| Functional Groups | CO, COC |
| Compound Name | 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol |
| Kingdom | Organic compounds |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3 |
| Smiles | CC1(C2CCC(O1)(C(C2)O)C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Oxanes |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700131 - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Reference:ISBN:9788172363093