2-Methylpentacosane
PubChem CID: 526118
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| Compound Synonyms | 2-Methylpentacosane, 629-87-8, Cerane, Pentacosane, 2-methyl-, Iso-hexacosane, S0NEC7M413, UNII-S0NEC7M413, DTXSID60335567, Pentacosane, 2-methyl, DTXCID10286656, LMFA11000351, Q27894183 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCC)C |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 230.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylpentacosane |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 14.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H54 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZRNSSRODJSSVEJ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -2.892 |
| Rotatable Bond Count | 22.0 |
| Logd | 1.323 |
| Synonyms | 2-methylpentacosane, isohexacosane |
| Esol Class | Poorly soluble |
| Compound Name | 2-Methylpentacosane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.423 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.423 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 366.7 |
| 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 |
| Esol | -9.4879516 |
| Inchi | InChI=1S/C26H54/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2)3/h26H,4-25H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCC(C)C |
| Nring | 5.0 |
| 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 Ageratina Adenophora (Plant) Rel Props:Reference:ISBN:9788172362300 - 2. Outgoing r'ship
FOUND_INto/from Euonymus Lucidus (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172360481; ISBN:9788185042084 - 3. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all