Nonatriacontane
PubChem CID: 114842
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| Compound Synonyms | Nonatriacontane, 7194-86-7, n-Nonatriacontane, ZOH3A3X6UH, UNII-ZOH3A3X6UH, Nonatriacontane (>90%), DTXSID4074724, n-Nonatriacontane 100 microg/mL in Hexane, Nonatriacontane, n-Nonatriacontane, DTXCID5047168, SNXOSZZZNFRFNZ-UHFFFAOYSA-N, Nonatriacontane, >=90.0% (GC), AS-87856, DB-007776, G64394, Q151226, 686-233-4 |
|---|---|
| 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 |
| Heavy Atom Count | 39.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 349.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonatriacontane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 20.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C39H80 |
| Inchi Key | SNXOSZZZNFRFNZ-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 36.0 |
| Synonyms | nonatriacontane |
| Esol Class | Insoluble |
| Compound Name | Nonatriacontane |
| Exact Mass | 548.626 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 548.626 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 549.1 |
| 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/C39H80/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| 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 Leucas Aspera (Plant) Rel Props:Reference:ISBN:9770972795006