2,4,4,6,6,8,8-Heptamethyl-1-nonene
PubChem CID: 545785
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| Compound Synonyms | 2,4,4,6,6,8,8-Heptamethyl-1-nonene, 15796-04-0, 2,4,4,6,6,8,8-heptamethylnon-1-ene, DTXSID40337983, DTXCID00289070 |
|---|---|
| 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 | CC=C)CCCCCCC)C)C)))C)C)))C)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 235.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4,4,6,6,8,8-heptamethylnon-1-ene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 7.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H32 |
| Inchi Key | UANJDEPRRZDYGA-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | 2,4,4,6,6,8,8,-heptamethyl-1-nonene |
| Esol Class | Moderately soluble |
| Functional Groups | C=C(C)C |
| Compound Name | 2,4,4,6,6,8,8-Heptamethyl-1-nonene |
| Exact Mass | 224.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 224.42 |
| 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 |
| Inchi | InChI=1S/C16H32/c1-13(2)10-15(6,7)12-16(8,9)11-14(3,4)5/h1,10-12H2,2-9H3 |
| Smiles | CC(=C)CC(C)(C)CC(C)(C)CC(C)(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 Alternanthera Sessilis (Plant) Rel Props:Reference:https://doi.org/10.7324/japs.2016.601222