2,6-Dimethyl-2-octene
PubChem CID: 19974
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| Compound Synonyms | 2,6-Dimethyl-2-octene, 2,6-dimethyloct-2-ene, 4057-42-5, 2-OCTENE, 2,6-DIMETHYL-, 2,6-Dimethyl-oct-2-ene, NSC 91458, BRN 1719569, 3-01-00-00861 (Beilstein Handbook Reference), 2-Octene,6-dimethyl-, NCIOpen2_001334, DTXSID80871053, NSC91458, LMFA11000593, NSC-91458, AKOS006277366 |
|---|---|
| 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 | CCCCCC=CC)C)))))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethyloct-2-ene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20 |
| Inchi Key | WQNLWKDARWVSKE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2,6-dimethyl-2-octene |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C |
| Compound Name | 2,6-Dimethyl-2-octene |
| Exact Mass | 140.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 140.27 |
| 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/C10H20/c1-5-10(4)8-6-7-9(2)3/h7,10H,5-6,8H2,1-4H3 |
| Smiles | CCC(C)CCC=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 Boswellia Sacra (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700833