1-Tetracontene
PubChem CID: 13829227
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| Compound Synonyms | 1-Tetracontene, UNII-22WFL06C0I, 22WFL06C0I, 61868-18-6, DTXSID00210849, DTXCID80133340, YQPZJBVEKZISEF-UHFFFAOYSA-N, Q27253680 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C |
| Heavy Atom Count | 40.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 424.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetracont-1-ene |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 21.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C40H80 |
| Inchi Key | YQPZJBVEKZISEF-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 37.0 |
| Synonyms | 1-tetracontene |
| Esol Class | Insoluble |
| Functional Groups | C=CC |
| Compound Name | 1-Tetracontene |
| Exact Mass | 560.626 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 560.626 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 561.1 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C40H80/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-40H2,2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Saussurea Gossypiphora (Plant) Rel Props:Reference:ISBN:9788172363093; ISBN:9788185042145