Basic information
- CAS
6565-57-7- Standard SMILES
CCc1ccc(C(C)CC)cc1- InChIKey
WCBFCOJVLMFJHZ-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- Benzene, 1-ethyl-4-(1-methylpropyl)
- IUPAC
- 1-butan-2-yl-4-ethylbenzene
Names & synonyms
Benzene, 1-ethyl-4-(1-methylpropyl)6565-57-71-sec-Butyl-4-ethylbenzene1-(sec-butyl)-4-ethylbenzeneSCHEMBL1611732SCHEMBL1611733SCHEMBL9348164WCBFCOJVLMFJHZ-UHFFFAOYSA-NDTXSID0010401201-ethyl-4-(1-methylpropyl)benzene
Database identifiers
- CAS
6565-57-7- PubChem CID
- 528682
- DTXSID
DTXSID001040120- Nikkaji
- J437.518A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 109
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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