Di-t-butylhydroxytoluene
PubChem CID: 19351831
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| Compound Synonyms | di-t-butylhydroxytoluene, di-t-butyl- hydroxytoluene, SCHEMBL128936, di-tertiary butyl hydroxy toluene, BHKAWXZKFKVZLK-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 231.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-ditert-butyl-6-methylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BHKAWXZKFKVZLK-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.754 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.302 |
| Compound Name | Di-t-butylhydroxytoluene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6718072 |
| Inchi | InChI=1S/C15H24O/c1-10-8-9-11(14(2,3)4)12(13(10)16)15(5,6)7/h8-9,16H,1-7H3 |
| Smiles | CC1=C(C(=C(C=C1)C(C)(C)C)C(C)(C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Strophanthus Sarmentosus (Plant) Rel Props:Source_db:cmaup_ingredients