2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one
PubChem CID: 146102
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 10396-80-2, 2,6-DI(TERT-BUTYL)-4-HYDROXY-4-METHYL-2,5-CYCLOHEXADIEN-1-ONE, 2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one, BHT-OH, 2,6-di-tert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one, 2,6-ditert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one, BRN 2050856, RCK267MPS5, 2,6-Di-t-butyl-4-hydroxy-4-methyl-2,5-cyclohexadienone, 2,5-Cyclohexadien-1-one, 2,6-di-tert-butyl-4-hydroxy-4-methyl-, 2,5-Cyclohexadien-1-one,2,6-bis(1,1-dimethylethyl)-4-hydroxy-4-methyl-, 2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadienone, DTXSID10146165, 4-08-00-00142 (Beilstein Handbook Reference), C15H24O2, 2,5-cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-hydroxy-4-methyl-, 2,6-DI-TERT-BUTYL-4-HYDROXY-4-METHYLCYCLOHEXA-2,5-DIENONE, 4-HYDROXY-4-METHYL-2,6-DI-TERT-BUTYL-2,5-CYCLOHEXADIENONE, BHTOH, UNII-RCK267MPS5, MFCD01734499, 6-t-butyl-2-(hydroxy-t-butyl)-4-methylphenol, SCHEMBL7213737, DTXCID0068656, DQBHJILNHNRDTM-UHFFFAOYSA-, KAA39680, AB09882, AT10109, BS-25552, CS-0440337, NS00010300, EN300-6503846, Q27288051, 2,6-di(t-Butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one, 2,6-di(t-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadiene-1-one, 4-methyl-4-hydroxy-2,6-di-t-butylcyclohexa-2,5-diene-1-one, 830-811-2, InChI=1/C15H24O2/c1-13(2,3)10-8-15(7,17)9-11(12(10)16)14(4,5)6/h8-9,17H,1-7H3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1 |
| Deep Smiles | O=CC=CCC=C6CC)C)C))))C)O)))CC)C)C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | OC1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 364.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-ditert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O2 |
| Scaffold Graph Node Bond Level | O=C1C=CCC=C1 |
| Inchi Key | DQBHJILNHNRDTM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one, 2,6-Bis(1,1-dimethylethyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one, 2,6-Di(tert-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one, 2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadienone, 2,6-Di-tert-butyl-4-methyl-4-hydroxy-2,5-cyclohexadien-1-one, 2,6-Ditert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one, 4-Hydroxy-4-methyl-2,6-di-tert-butyl-2,5-cyclohexadienone, BHT-quinol, 2,6-di(t-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one |
| Esol Class | Soluble |
| Functional Groups | CC1=CCC=C(C)C1=O, CO |
| Compound Name | 2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one |
| Kingdom | Organic compounds |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O2/c1-13(2,3)10-8-15(7,17)9-11(12(10)16)14(4,5)6/h8-9,17H,1-7H3 |
| Smiles | CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Monocyclic monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Arbutus Unedo (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644105