Basic information
- CAS
5082-72-4- Standard SMILES
CC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1- InChIKey
AKGIGSUIOWBKLL-UHFFFAOYSA-N- Molecular formula
- C18H28O2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.20893014
Names & identifiers
- Preferred name
- 2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
- IUPAC
- 4-(3,5-ditert-butyl-4-hydroxyphenyl)butan-2-one
Names & synonyms
5082-72-42-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-SCHEMBL3922193DTXSID40398251AKGIGSUIOWBKLL-UHFFFAOYSA-NAKOS0015928454-(3,5-di-t-butyl-4-hydroxy-phenyl)butanone-2SR-010003918394-(3,5-di-t-butyl-4-hydroxyphenyl) butane-2-one4-(3,5-di-t-butyl-4-hydroxyphenyl)-butane-2-oneSR-01000391839-13,5-di-tert-butyl-4-hydroxyphenylethyl methyl ketone
Show more names
methyl-(3,5-di-tert.butyl-4-hydroxyphenylethyl)-ketone4-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)BUTAN-2-ONE
Database identifiers
- CAS
5082-72-4- PubChem CID
- 3960962
- DTXSID
DTXSID40398251
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 308
Related reactions
9 records
Compound notes
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