2-Methylhexacosane
PubChem CID: 150931
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| Compound Synonyms | 2-Methylhexacosane, Hexacosane, 2-methyl-, 1561-02-0, Isoheptacosane, 2-Methyl-Hexacosane, UNII-H75543DI44, 2-Methyl-n-hexacosane, H75543DI44, DTXSID50166044, Pentacosane, dimethyl-, starbld0006105, DTXCID6088535, LMFA11000345, AKOS028111317, HY-W673589, AS-79827, PD143571, CS-0757107, G83035, Q27279720, 4-([4-(Bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCC)C |
| Heavy Atom Count | 27.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 242.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylhexacosane |
| Class | Saturated hydrocarbons |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 14.6 |
| Superclass | Hydrocarbons |
| Subclass | Alkanes |
| Gsk 4 400 Rule | False |
| Molecular Formula | C27H56 |
| Inchi Key | BEBPORIYFVRVCP-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 23.0 |
| State | Solid |
| Synonyms | 2-Methyl-hexacosane, Isoheptacosane, 2-methylhexacosane |
| Esol Class | Poorly soluble |
| Compound Name | 2-Methylhexacosane |
| Kingdom | Organic compounds |
| Exact Mass | 380.438 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.438 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 380.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C27H56/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(2)3/h27H,4-26H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCC(C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Branched alkanes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1470943 - 2. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699168