2,3-Dimethylnonacosane
PubChem CID: 71331945
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| Compound Synonyms | 2,3-DIMETHYLNONACOSANE, 98264-37-0, DTXSID90760464 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C))C |
| Heavy Atom Count | 31.0 |
| 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 | 2,3-dimethylnonacosane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 16.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C31H64 |
| Inchi Key | MNCPKWPHMGLTCN-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 26.0 |
| Synonyms | 2,3-dimethylnonacosane |
| Esol Class | Insoluble |
| Compound Name | 2,3-Dimethylnonacosane |
| Exact Mass | 436.501 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.501 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 436.8 |
| 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/C31H64/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31(4)30(2)3/h30-31H,5-29H2,1-4H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C(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 Hyoscyamus Albus (Plant) Rel Props:Reference:ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Hyoscyamus Niger (Plant) Rel Props:Reference:ISBN:9770972795006