Basic information
- CAS
55154-57-9- Standard SMILES
CCCC(C)(C)c1cc(C(C)C)cc(C(C)(C)CCC)c1O- InChIKey
QMICHMFQKIAGCF-UHFFFAOYSA-N- Molecular formula
- C21H36O
- Average molar mass
- 304.5 g/mol
- Monoisotopic mass
- 304.27661577
Names & identifiers
- Preferred name
- 2,6-Bis(2-methylpentan-2-yl)-4-propan-2-ylphenol
- IUPAC
- 2,6-bis(2-methylpentan-2-yl)-4-propan-2-ylphenol
Names & synonyms
NSC26134855154-57-9DTXSID80312754NSC-261348DS-0037172,6-bis(2-methylpentan-2-yl)-4-propan-2-yl-phenol2,6-Bis(2-methylpentan-2-yl)-4-(propan-2-yl)phenol
Database identifiers
- CAS
55154-57-9- PubChem CID
- 319224
- DTXSID
DTXSID80312754
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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