3-Methylheneicosane
PubChem CID: 522120
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| Compound Synonyms | 3-Methylheneicosane, 3-Methylhenicosane, Heneicosane, 3-methyl-, 6418-47-9, 3-Methylhenicosane #, DTXSID30982704, LMFA11000394, AKOS028108673, A11151 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCC))C |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 184.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylhenicosane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 11.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C22H46 |
| Inchi Key | OSJUENOXPFOHLF-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 18.0 |
| Synonyms | 3- methyl heneicosane, 3-methyl-heneicosane, 3-methylhenicosane |
| Esol Class | Poorly soluble |
| Compound Name | 3-Methylheneicosane |
| Exact Mass | 310.36 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.36 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 310.6 |
| 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/C22H46/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2/h22H,4-21H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCC(C)CC |
| 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 Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965 - 2. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699168