3,7-Dimethylundecane
PubChem CID: 519387
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| Compound Synonyms | 3,7-Dimethylundecane, Undecane, 3,7-dimethyl-, 17301-29-0, 3,7-Dimethylundecane #, Undecane,3,7-dimethyl-, DTXSID30333994, CHEBI:139058, LMFA11000388, NS00096093 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCCCCCCCC))C)))))C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dimethylundecane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 6.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C13H28 |
| Inchi Key | QQWXDSCYXKZATG-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | 3,7-dimethylundecane |
| Esol Class | Moderately soluble |
| Compound Name | 3,7-Dimethylundecane |
| Exact Mass | 184.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 184.36 |
| 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/C13H28/c1-5-7-9-13(4)11-8-10-12(3)6-2/h12-13H,5-11H2,1-4H3 |
| Smiles | CCCCC(C)CCCC(C)CC |
| 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 Asystasia Gangetica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643975