2-Methylhentriacontane
PubChem CID: 14923238
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| Compound Synonyms | 2-Methylhentriacontane, Hentriacontane, 2-methyl-, 1720-12-3, DTXSID60565483, dimethyltriacontane, DTXCID20516259, LMFA11000342 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Saturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 305.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylhentriacontane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 17.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C32H66 |
| Inchi Key | XRBHKBOAKDZICV-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 28.0 |
| Synonyms | dimethyltriacontane |
| Esol Class | Insoluble |
| Compound Name | 2-Methylhentriacontane |
| Exact Mass | 450.516 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 450.516 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 450.9 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C32H66/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(2)3/h32H,4-31H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)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 Artemisia Annua (Plant) Rel Props:Reference:ISBN:9770972795006