2,4,6-Trimethyloctane
PubChem CID: 545612
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| Compound Synonyms | 2,4,6-Trimethyloctane, 62016-37-9, Octane, 2,4,6-trimethyl-, 2,4,6-trimethyl-octane, 2,4,6-TRIMETHYL OCTANE, 2,4,6-Trimethyloctane #, DTXSID30337937, CHEBI:183304, LMFA11000678, NS00095995 |
|---|---|
| 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 | CCCCCCCC)C)))C)))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4,6-trimethyloctane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C11H24 |
| Inchi Key | XHNIFDXYGLPJLP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2,4,6-trimethyl octaneb, 2,4,6-trimethyloctane |
| Esol Class | Soluble |
| Compound Name | 2,4,6-Trimethyloctane |
| Exact Mass | 156.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 156.31 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H24/c1-6-10(4)8-11(5)7-9(2)3/h9-11H,6-8H2,1-5H3 |
| Smiles | CCC(C)CC(C)CC(C)C |
| 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 Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 2. Outgoing r'ship
FOUND_INto/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748