Dodecane, 4-methyl-
PubChem CID: 521958
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| Compound Synonyms | 4-Methyldodecane, 6117-97-1, Dodecane, 4-methyl-, DTXSID1058638, DTXCID9032325, CHEBI:229452, MFCD00048968, CS-0205047, M0238, T72705, 678-595-7 |
|---|---|
| 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 | CCCCCCCCCCCC)))C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyldodecane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 7.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C13H28 |
| Inchi Key | UZTXSMATBUWDDZ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | 4-methyl-dodecane |
| Esol Class | Moderately soluble |
| Compound Name | Dodecane, 4-methyl- |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H28/c1-4-6-7-8-9-10-12-13(3)11-5-2/h13H,4-12H2,1-3H3 |
| Smiles | CCCCCCCCC(C)CCC |
| 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 Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965