Ipsenone
PubChem CID: 12402006
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | ipsenone, 2-methyl-6-methylideneoct-7-en-4-one, 7-Octen-4-one, 2-methyl-6-methylene-, V7EA3V43ID, 2-methyl-6-methylene-7-octen-4-one, 19860-68-5, 2-Methyl-6-methylene-7-octene-4-one, UNII-V7EA3V43ID, DTXSID10496531, 2-Methyl-6-methyleneoct-7-en-4-one, SCHEMBL10024721, DTXCID10447341, Q67879925 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C=CC=C)CC=O)CCC)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-6-methylideneoct-7-en-4-one |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Inchi Key | IAUTWQNZPYUFQE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | ipsenone |
| Esol Class | Soluble |
| Functional Groups | C=CC(=C)C, CC(C)=O |
| Compound Name | Ipsenone |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,8H,1,4,6-7H2,2-3H3 |
| Smiles | CC(C)CC(=O)CC(=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 Garcinia Huillensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1420 - 2. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060312