Basic information
- CAS
54932-78-4- Standard SMILES
CC(C)(C)C(C)(C)Cc1ccc(O)cc1- InChIKey
FBUPLQJWXXGMOF-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- 4-(2,2,3,3-Tetramethylbutyl)phenol
- IUPAC
- 4-(2,2,3,3-tetramethylbutyl)phenol
- English name
- 4-(2,2,3,3-Tetramethylbutyl)phenol
- Molecular formula
- C14H22O
- Molecular weight
- 206.32
Names & synonyms
Phenol, 4-(2,2,3,3-tetramethylbutyl)-4-(2,2,3,3-tetramethylbutyl)phenol54932-78-4DTXSID1068982RefChem:1069742DTXCID5041807SCHEMBL81919494-(2,2,3,3-tetramethylbutyl) phenolDB-3573274-(2,2,3,3-TETRAMETHYL BUTYL) PHENOL
Database identifiers
- CAS
54932-78-4- PubChem CID
- 41234
- DTXSID
DTXSID1068982- Nikkaji
- J101.686E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 292.8 · 292.8±9.0 °C(Predicted)
- Density
- 0.938 · 0.938±0.06 g/cm3(Predicted)
- pka
- 10.16 · 10.16±0.15(Predicted)
- LogP
- 5.124 · 5.124 (est)
- EPA Substance Registry System
- 4 · Phenol, 4-(2,2,3,3-tetramethylbutyl)- (54932-78-4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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