Basic information
- CAS
126028-51-1- Standard SMILES
CCCCc1cccc(CC)c1- InChIKey
IBQJOCAGNFEEKY-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- 1-Butyl-3-ethylbenzene
- IUPAC
- 1-butyl-3-ethylbenzene
Names & synonyms
1-Butyl-3-ethylbenzene126028-51-1DTXSID201037002RefChem:1055172DTXCID5015210901-Ethyl-3-n-Butylbenzenem-ethylbutylbenzeneBenzene, 1-ethyl-3-butylBenzene, 1-butyl-3-ethyl-SCHEMBL819446SCHEMBL1779587SCHEMBL2918719
Show more names
SCHEMBL2918721SCHEMBL3032843NIOSH/CY9175000SCHEMBL11030323SCHEMBL12510875SCHEMBL16961331SCHEMBL18242054IBQJOCAGNFEEKY-UHFFFAOYSA-N
Database identifiers
- CAS
126028-51-1- PubChem CID
- 528689
- DTXSID
DTXSID201037002- Nikkaji
- J437.516E
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 107
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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