2-Methyl-6-propyldodecane
PubChem CID: 545626
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| Compound Synonyms | 2-Methyl-6-propyldodecane, 55045-08-4, Dodecane, 2-methyl-6-propyl-, 2-Methyl-6-propyldodecane #, DTXSID9058650, IRPVTCCKIFKMEU-UHFFFAOYSA-N, DB-303581 |
|---|---|
| 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 | CCCCCCCCCCCC)C)))))CCC |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 126.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-6-propyldodecane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 8.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H34 |
| Inchi Key | IRPVTCCKIFKMEU-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | 2-methyl-6-propyl-dodecane, 2-methyl-6-propyldodecane |
| Esol Class | Moderately soluble |
| Compound Name | 2-Methyl-6-propyldodecane |
| Exact Mass | 226.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.266 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 226.44 |
| 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/C16H34/c1-5-7-8-9-13-16(11-6-2)14-10-12-15(3)4/h15-16H,5-14H2,1-4H3 |
| Smiles | CCCCCCC(CCC)CCCC(C)C |
| 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 Hypericum Perforatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2004.10643407 - 2. Outgoing r'ship
FOUND_INto/from Rosa Canina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1604167