2-(5-Ethenyl-5-methyloxolan-2-yl)-4,4-dimethylhex-5-en-3-one
PubChem CID: 12308610
Connections displayed (default: 10).
Loading graph...
| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C=CCC)CCCO5)CC=O)CC=C))C)C)))C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Oxolanes |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5-ethenyl-5-methyloxolan-2-yl)-4,4-dimethylhex-5-en-3-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O2 |
| Scaffold Graph Node Bond Level | C1CCOC1 |
| Inchi Key | GJHJZCGMDGIUKC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | artemone |
| Esol Class | Soluble |
| Functional Groups | C=CC, CC(C)=O, COC |
| Compound Name | 2-(5-Ethenyl-5-methyloxolan-2-yl)-4,4-dimethylhex-5-en-3-one |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| 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/C15H24O2/c1-7-14(4,5)13(16)11(3)12-9-10-15(6,8-2)17-12/h7-8,11-12H,1-2,9-10H2,3-6H3 |
| Smiles | CC(C1CCC(O1)(C)C=C)C(=O)C(C)(C)C=C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Pallens (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279