5-Methyltetradecane
PubChem CID: 98976
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| Compound Synonyms | 5-Methyltetradecane, 25117-32-2, Tetradecane, 5-methyl-, NSC 158674, DTXSID90873321, 5-Methyltetradecan, 5-methyl-tetradecane, NSC158674, Tetradecane, 5methyl, 5-Methyltetradecane #, Tetradecane, 5-methyl-(8CI), DTXCID70820818, Tetradecane, 5-methyl-(8CI)(9CI), NSC-158674 |
|---|---|
| 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 | CCCCCCCCCCCCCC))))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 107.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyltetradecane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 8.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H32 |
| Inchi Key | SQKZZFHVQCSUHZ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | 5-methyltetradecane |
| Esol Class | Moderately soluble |
| Compound Name | 5-Methyltetradecane |
| Exact Mass | 212.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 212.41 |
| 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/C15H32/c1-4-6-8-9-10-11-12-14-15(3)13-7-5-2/h15H,4-14H2,1-3H3 |
| Smiles | CCCCCCCCCC(C)CCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Equisetum Palustre (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700020