4-Methyltetracosane
PubChem CID: 527470
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| Compound Synonyms | 4-Methyltetracosane, Tetracosane, 4-methyl, 76275-83-7, DTXSID70335811 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCC)))C |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyltetracosane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 13.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H52 |
| Inchi Key | ZMWYRLCLGPLJAE-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 21.0 |
| Synonyms | 4-methyl tetracosane, 4-methyltetracosane |
| Esol Class | Poorly soluble |
| Compound Name | 4-Methyltetracosane |
| Exact Mass | 352.407 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.407 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 352.7 |
| 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/C25H52/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(3)23-5-2/h25H,4-24H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCC(C)CCC |
| 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 Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1197801 - 2. Outgoing r'ship
FOUND_INto/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1466