3-Methylheptadecane
PubChem CID: 94321
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| Compound Synonyms | 3-Methylheptadecane, Heptadecane, 3-methyl-, 6418-44-6, Hexadecane, 2-ethyl, DTXSID10880754, 3-methyl-heptadecane, Heptadecane, 3methyl, DTXCID101022115, LMFA11000397, NS00096072, Q67879600, 680-585-2 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCC))C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylheptadecane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 9.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H38 |
| Inchi Key | HPDKJRSKBCPMIY-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | 3-methyl-heptadecane, 3-methylheptadecane |
| Esol Class | Poorly soluble |
| Compound Name | 3-Methylheptadecane |
| Exact Mass | 254.297 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.297 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 254.5 |
| 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/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h18H,4-17H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCC(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