Basic information
- CAS
939-37-7- Standard SMILES
CCC(C)c1cc(C)cc(C)c1- InChIKey
JRIIFSPDAWMGAN-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- Benzene, 1,3-dimethyl-5-(1-methylpropyl)
- IUPAC
- 1-butan-2-yl-3,5-dimethylbenzene
Names & synonyms
Benzene, 1,3-dimethyl-5-(1-methylpropyl)939-37-7DTXSID10336044RefChem:323373DTXCID602871331-(sec-Butyl)-3,5-dimethylbenzene1,3-Dimethyl-5-secButylbenzene1-(butan-2-yl)-3,5-dimethylbenzeneSCHEMBL4306437SCHEMBL8730421
Database identifiers
- CAS
939-37-7- PubChem CID
- 528685
- DTXSID
DTXSID10336044- Nikkaji
- J437.537H
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
- 118
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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