Bicyclo[7.2.0]undec-4-ene
PubChem CID: 129848326
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| Compound Synonyms | bicyclo[7.2.0]undec-4-ene |
|---|---|
| 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 | C1CCCC2CCC2CCC1 |
| Deep Smiles | C=CCCCCCCC/9)))CC4 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Polycyclic hydrocarbons |
| Scaffold Graph Node Level | C1CCCC2CCC2CCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 146.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4Z)-bicyclo[7.2.0]undec-4-ene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H18 |
| Scaffold Graph Node Bond Level | C1=CCCC2CCC2CCC1 |
| Inchi Key | DTHZPEJKTHPMPF-UPHRSURJSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | bicyclo[7.2.0]undec-4-ene |
| Esol Class | Soluble |
| Functional Groups | C/C=CC |
| Compound Name | Bicyclo[7.2.0]undec-4-ene |
| Exact Mass | 150.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 150.26 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H18/c1-2-4-6-10-8-9-11(10)7-5-3-1/h1-2,10-11H,3-9H2/b2-1- |
| Smiles | C1C/C=C\CCC2CCC2C1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.892840