(2E,7E)-9-oxodeca-2,5,7-trienoate
PubChem CID: 135665555
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| Compound Synonyms | WLUIOVBNENBQAH-KQQUZDAGSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | [O-]C=O)/C=C/[CH+]C=C/C=C/C=O)C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 254.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,7E)-9-oxodeca-2,5,7-trienoate |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H10O3 |
| Inchi Key | RWIJHDVNVFLSFB-OBMXKTCTSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | la-1 |
| Esol Class | Very soluble |
| Functional Groups | [CH+]/C=C/C(=O)[O-], [CH+]C=C/C=C/C(C)=O |
| Compound Name | (2E,7E)-9-oxodeca-2,5,7-trienoate |
| Exact Mass | 178.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 178.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H10O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2-8H,1H3/b3-2?,7-5+,8-6+ |
| Smiles | CC(=O)/C=C/C=C[CH+]/C=C/C(=O)[O-] |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
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