(Z)-Tagetenone
PubChem CID: 6428432
Connections displayed (default: 10).
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| Compound Synonyms | (Z)-Tagetenone, cis-Ocimenone, (Z)-Ocimenone, cis-Tagetenone, 33746-71-3, SCHEMBL2133992, XUINKEIPBTYUJP-CLFYSBASSA-N, DTXSID001317682, (z)-2,6-dimethylocta-2,5,7-trien-4-one, Q67880201 |
|---|---|
| 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=C/C=CC=O)C=CC)C)))))/C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z)-2,6-dimethylocta-2,5,7-trien-4-one |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O |
| Inchi Key | XUINKEIPBTYUJP-CLFYSBASSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | (z)-ocimenon, (z)-ocimenone a, (z)-tagetenone, cis-ocimenone, cis-tagetenone |
| Esol Class | Soluble |
| Functional Groups | C=C/C(C)=CC(=O)C=C(C)C |
| Compound Name | (Z)-Tagetenone |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-7H,1H2,2-4H3/b9-7- |
| Smiles | CC(=CC(=O)/C=C(/C)\C=C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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