2-Methylhexadecane
PubChem CID: 15266
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-METHYLHEXADECANE, 1560-92-5, Hexadecane, 2-methyl-, 2-methyl-hexadecane, UNII-0UAR331X65, 0UAR331X65, DTXSID10166025, DTXCID3088516, CHEBI:183297, LMFA11000346, Q27237256, 680-567-4 |
|---|---|
| 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 | CCCCCCCCCCCCCCCC)C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 126.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylhexadecane |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 9.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H36 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FNWWOHKUXFTKGN-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -7.141 |
| Rotatable Bond Count | 13.0 |
| Logd | 5.022 |
| Synonyms | 2-methyl-hexadecane, 2-methylhexadecane |
| Esol Class | Poorly soluble |
| Compound Name | 2-Methylhexadecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.282 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 240.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -6.224845 |
| Inchi | InChI=1S/C17H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h17H,4-16H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCC(C)C |
| Nring | 0.0 |
| 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 Anthriscus Sylvestris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1060176 - 2. Outgoing r'ship
FOUND_INto/from Astilbe Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Crinum Latifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712111 - 4. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965