2-tert-Butyl-4-quinone
PubChem CID: 19211
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| Compound Synonyms | 2-tert-Butyl-1,4-benzoquinone, 3602-55-9, tert-Butylquinone, 2-tert-Butyl-p-benzoquinone, 2-tert-butylcyclohexa-2,5-diene-1,4-dione, tert-Butyl-p-benzoquinone, tert-Butylbenzoquinone, 2-tert-Butyl-p-quinone, tert-Butyl-1,4-benzoquinone, 2-tert-Butyl-4-quinone, t-Butylquinone, 2-tert-Butyl quinone, tert-Butyl-p-quinone, p-BENZOQUINONE, 2-tert-BUTYL-, 2,5-Cyclohexadiene-1,4-dione, 2-(1,1-dimethylethyl)-, CCRIS 1263, NSC 124503, EINECS 222-757-8, 2-(1,1-Dimethylethyl)-2,5-cyclohexadiene-1,4-dione, BRN 1860944, F18QT8490S, 2,5-Cyclohexadien-1,4-dione, 2-(1,1-dimethylethyl)-, MFCD00666928, NSC-124503, 2-(1,1-Dimethylethyl)-2,5-cyclohexadien-1,4-dione, CHEMBL2252966, DTXSID70189593, 2-t-BQ, 2-tert-butyl-4-benzoquinone, UNII-F18QT8490S, 2-tert-butyl(1,4)para-quinone, t-butylbenzoquinone, tertbutyl-p-benzoquinone, tertiary butylhydro-quinone, p-Benzoquinone, tert-butyl-, SCHEMBL49453, NCCTVAJNFXYWTM-UHFFFAOYSA-, DTXCID30112084, 2-tert-Butyl-[1,4]benzoquinone, 2-tert-Butylbenzo-1,4-quinone #, BDBM50523231, NSC124503, AKOS015837829, CS-W017903, HY-W017187, 2,4-dione, 2-(1,1-dimethylethyl)-, 2-tert-Butyl-1,4-benzoquinone, 98%, AS-59793, PD195618, SY052740, DB-048908, B1984, NS00022098, D70553, EN300-6504866, Q27277500, 2,5-Cyclohexadien-1,4-dione, 2-(1,1-dimethylethyl)-(9CI), 2,5-Cyclohexadiene-1,4-dione, 2-(1,1-dimethylethyl)-(9CI), InChI=1/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3, 2-(1,1-Dimethylethyl)-2,5-cyclohexadiene-1,4-dione, 2-t-Butyl-1,4-benzoquinone, tert-Butylbenzoquinone, 222-757-8 |
|---|---|
| Ghose Rule | True |
| 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 |
| Deep Smiles | O=CC=CC=O)C=C6)CC)C)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CCC(O)CC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 287.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-tert-butylcyclohexa-2,5-diene-1,4-dione |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H12O2 |
| Scaffold Graph Node Bond Level | O=C1C=CC(=O)C=C1 |
| Inchi Key | NCCTVAJNFXYWTM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | tert-butyl-p-benzoquinone |
| Esol Class | Soluble |
| Functional Groups | CC1=CC(=O)C=CC1=O |
| Compound Name | 2-tert-Butyl-4-quinone |
| Exact Mass | 164.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 164.2 |
| 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/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3 |
| Smiles | CC(C)(C)C1=CC(=O)C=CC1=O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Clerodendrum Infortunatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1024448