Basic information
- CAS
76291-19-5- Standard SMILES
CCC(C)c1ccc(C)c(C)c1- InChIKey
MYVKZLLOEWHIBV-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- 1,2-Dimethyl-4-secButylbenzene
- IUPAC
- 4-butan-2-yl-1,2-dimethylbenzene
Names & synonyms
Benzene, 1,2-dimethyl-4-(1-methylpropyl)1,2-Dimethyl-4-secButylbenzene76291-19-5SCHEMBL11057467SCHEMBL16950645SCHEMBL295035464-sec-Butyl-1,2-dimethylbenzeneDTXSID401042916
Database identifiers
- CAS
76291-19-5- PubChem CID
- 528684
- DTXSID
DTXSID401042916- Nikkaji
- J437.532G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 128
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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