Epoxy-linalool oxide
PubChem CID: 132277303
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | epoxy-linalool oxide |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 45.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1C2CC12 |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | CC=CCCCCOC3O4))))O)C)))))C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | O1C2OC12 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,4-dioxabicyclo[1.1.0]butan-1-yl)-6-methylhept-5-en-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O3 |
| Scaffold Graph Node Bond Level | O1C2OC12 |
| Inchi Key | ZVGWOCIJIRIBKL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | epoxy-linalool oxide |
| Esol Class | Very soluble |
| Functional Groups | CC12OC1O2, CC=C(C)C, CO |
| Compound Name | Epoxy-linalool oxide |
| Exact Mass | 184.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 184.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16O3/c1-7(2)5-4-6-9(3,11)10-8(12-10)13-10/h5,8,11H,4,6H2,1-3H3 |
| Smiles | CC(=CCCC(C)(C12C(O1)O2)O)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 Cymbopogon Citratus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1351894