Basic information
- CAS
116653-53-3- Standard SMILES
C=CC=Cc1cc(C)ccc1C- InChIKey
SNWCDGWPCMLJMC-UHFFFAOYSA-N- Molecular formula
- C12H14
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.10955045
Names & identifiers
- Preferred name
- 2-(1,3-Butadien-1-yl)-1,4-dimethylbenzene
- IUPAC
- 2-buta-1,3-dienyl-1,4-dimethylbenzene
Names & synonyms
SCHEMBL7751617DTXSID2012708222-(1,3-Butadien-1-yl)-1,4-dimethylbenzene2-(Buta-1,3-dien-1-yl)-1,4-dimethylbenzene116653-53-3
Database identifiers
- CAS
116653-53-3- PubChem CID
- 85564895
- DTXSID
DTXSID201270822
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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