Z,Z-6,28-Heptatriacontadien-2-one
PubChem CID: 5365964
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| Compound Synonyms | Z,Z-6,28-Heptatriacontadien-2-one, CAULISZETWALPH-NINRRXIWSA-N, Z,Z-6,28-Heptatriactontadien-2-one, (6Z,28Z)-6,28-Heptatriacontadien-2-one # |
|---|---|
| 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 | Hydrocarbons, Oxygenated hydrocarbons |
| Deep Smiles | CCCCCCCC/C=CCCCCCCCCCCCCCCCCCCCC/C=CCCCC=O)C |
| Heavy Atom Count | 38.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 503.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6Z,28Z)-heptatriaconta-6,28-dien-2-one |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 16.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C37H70O |
| Inchi Key | CAULISZETWALPH-NINRRXIWSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 32.0 |
| Synonyms | z,z-6,28-heptatriactontadien-2-one |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, CC(C)=O |
| Compound Name | Z,Z-6,28-Heptatriacontadien-2-one |
| Exact Mass | 530.543 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 530.543 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 530.9 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C37H70O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(2)38/h10-11,32-33H,3-9,12-31,34-36H2,1-2H3/b11-10-,33-32- |
| Smiles | CCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCC/C=C\CCCC(=O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Mukia Maderaspatana (Plant) Rel Props:Reference:ISBN:9770972795006