2,6-Dimethylbenzoquinone
PubChem CID: 68241
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,6-Dimethylbenzoquinone, 527-61-7, 2,6-dimethylcyclohexa-2,5-diene-1,4-dione, 2,6-Dimethyl-1,4-benzoquinone, 2,6-Dimethyl-p-benzoquinone, m-Xyloquinone, 2,6-Xyloquinone, 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethyl-, 2,6-Dimethylquinone, 3,5-Dimethylbenzoquinone, p-Benzoquinone, 2,6-dimethyl-, 2,6-Dimethyl-1,4-quinone, 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione, 2,6-Dimethylbenzo-1,4-quinone, 2,6-Dimethyl-p-quinone, 2,6-Dimethyl-[1,4]benzoquinone, NSC 17549, HET5TF8ZGO, MFCD00001605, NSC-17549, CCRIS 7151, UNII-HET5TF8ZGO, EINECS 208-420-8, AI3-61043, 3,5-Dimethyl-1,4-benzoquinone, S00326a, p-Benzoquinone,6-dimethyl-, SCHEMBL21463, ghl.PD_Mitscher_leg0.748, 2,4-dione, 2,6-dimethyl-, CHEMBL150643, 2,6-Dimethylbenzoquinone, 99%, DTXSID00200664, NSC17549, AKOS015890831, CS-W016532, HY-W015816, AS-64932, SY048340, DB-020244, 2,6-Dimethyl-2,5-cyclohexadien-1,4-dione, D2234, NS00020423, D90019, Q27279891, InChI=1/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C)CC1 |
| Np Classifier Class | Benzoquinones |
| Deep Smiles | O=CC=CC)C=O)C=C6)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CCC(O)CC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethylcyclohexa-2,5-diene-1,4-dione |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H8O2 |
| Scaffold Graph Node Bond Level | O=C1C=CC(=O)C=C1 |
| Inchi Key | SENUUPBBLQWHMF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,6-dimethylbenzoquinone |
| Esol Class | Very soluble |
| Functional Groups | CC1=CC(=O)C=C(C)C1=O |
| Compound Name | 2,6-Dimethylbenzoquinone |
| Exact Mass | 136.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 136.15 |
| Gi Absorption | True |
| 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/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3 |
| Smiles | CC1=CC(=O)C=C(C1=O)C |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Ailanthus Excelsa (Plant) Rel Props:Reference:ISBN:9770972795006