(2E,4E)-3,7-dimethyl-2,4,6-octatrienal
PubChem CID: 11126441
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| Compound Synonyms | ocimenone, (2E,4E)-3,7-dimethyl-2,4,6-octatrienal, SCHEMBL1071946, SCHEMBL1071948, UDYGWSPUYSRWRN-AGLLBGTNSA-N |
|---|---|
| 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 | O=C/C=C/C=C/C=CC)C)))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 203.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E)-3,7-dimethylocta-2,4,6-trienal |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O |
| Inchi Key | UDYGWSPUYSRWRN-AGLLBGTNSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | ocimenone |
| Esol Class | Soluble |
| Functional Groups | CC(C)=C/C=C/C(C)=C/C=O |
| Compound Name | (2E,4E)-3,7-dimethyl-2,4,6-octatrienal |
| 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 | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H14O/c1-9(2)5-4-6-10(3)7-8-11/h4-8H,1-3H3/b6-4+,10-7+ |
| Smiles | CC(=C/C=C/C(=C/C=O)/C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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