Basic information
- CAS
111753-22-1- Standard SMILES
CCCCOc1ccc(C(C)(C)CC(C)(C)C)cc1- InChIKey
LELQMXQCPHFHED-UHFFFAOYSA-N- Molecular formula
- C18H30O
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.22966558
Names & identifiers
- Preferred name
- Benzene, 1-butoxy-4-(1,1,3,3-tetramethylbutyl)-
- IUPAC
- 1-butoxy-4-(2,4,4-trimethylpentan-2-yl)benzene
Names & synonyms
Benzene, 1-butoxy-4-(1,1,3,3-tetramethylbutyl)-111753-22-11-butoxy-4-(2,4,4-trimethylpentan-2-yl)benzeneNSC405429SCHEMBL8469756DTXSID50324006AKOS024325322BUTYL 4-TERT-OCTYLPHENYL ETHERNSC-405429
Database identifiers
- CAS
111753-22-1- PubChem CID
- 347016
- DTXSID
DTXSID50324006- Nikkaji
- J68.547J
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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