2-Methylocta-2,4,6-triene
PubChem CID: 53643885
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| Compound Synonyms | 2-Methylocta-2,4,6-triene, DTXSID40705628, DTXCID70656376 |
|---|---|
| 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=CC=CC=CC)C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylocta-2,4,6-triene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H14 |
| Inchi Key | AHXXJOUHGBPWGW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-methyloctatriene-2,4,6 |
| Esol Class | Soluble |
| Functional Groups | CC=CC=CC=C(C)C |
| Compound Name | 2-Methylocta-2,4,6-triene |
| Exact Mass | 122.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 122.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 122.21 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h4-8H,1-3H3 |
| Smiles | CC=CC=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 Tanacetum Parthenium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643779