Eicosane, 10-heptyl-10-octyl-
PubChem CID: 298665
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| Compound Synonyms | 10-Heptyl-10-octylicosane, Eicosane, 10-heptyl-10-octyl-, 10-n-Heptyl-10-n-octyleicosane, 55470-98-9, DTXSID30305494, NSC170889, 10-heptyl-10-octyleicosane, 10-Heptyl-10-octylicosane #, DTXCID80256624, NSC-170889, DB-250210, Q2806603 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCC)))))))))CCCCCCCC))))))))CCCCCCC |
| Heavy Atom Count | 35.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 372.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-heptyl-10-octylicosane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 18.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C35H72 |
| Inchi Key | FEIFRHBKEQKLTC-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 30.0 |
| Synonyms | 10-heptyl-10-octylicosane |
| Esol Class | Insoluble |
| Compound Name | Eicosane, 10-heptyl-10-octyl- |
| Exact Mass | 492.563 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 492.563 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 492.9 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C35H72/c1-5-9-13-17-20-22-26-30-34-35(31-27-23-16-12-8-4,32-28-24-19-15-11-7-3)33-29-25-21-18-14-10-6-2/h5-34H2,1-4H3 |
| Smiles | CCCCCCCCCCC(CCCCCCC)(CCCCCCCC)CCCCCCCCC |
| 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 Rosa Canina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1604167