2-Methoxy-2,9-dimethylbenzonorbornene
PubChem CID: 575788
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| Compound Synonyms | 2-Methoxy-2,9-dimethylbenzonorbornene, UBMPVFLWBGABDY-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C3CCC(C3)C2C1 |
| Deep Smiles | COCC)CCCC5cc5cccc6)))))))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Tetralins |
| Scaffold Graph Node Level | C1CCC2C3CCC(C3)C2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 262.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methoxy-9,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H18O |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)C1CCC2C1 |
| Inchi Key | UBMPVFLWBGABDY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-methoxy-2,9-dimethylbenzonorbornene |
| Esol Class | Soluble |
| Functional Groups | COC |
| Compound Name | 2-Methoxy-2,9-dimethylbenzonorbornene |
| Exact Mass | 202.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 202.29 |
| Gi Absorption | True |
| 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/C14H18O/c1-9-12-8-14(2,15-3)13(9)11-7-5-4-6-10(11)12/h4-7,9,12-13H,8H2,1-3H3 |
| Smiles | CC1C2CC(C1C3=CC=CC=C23)(C)OC |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Robinia Pseudoacacia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1329670