1,2-Dimethyl-3-(1-methylethyl)benzene
Basic information
- CAS
22539-65-7- Standard SMILES
Cc1cccc(C(C)C)c1C- InChIKey
GDEQPEBFOWYWSA-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- 1,2-Dimethyl-3-(1-methylethyl)benzene
- IUPAC
- 1,2-dimethyl-3-propan-2-ylbenzene
Names & synonyms
1,2-dimethyl-3-(1-methylethyl)benzeneDTXSID50102689022539-65-7RefChem:1052287DTXCID6015110781-Isopropyl-2,3-dimethylbenzeneisopropylxyleneSCHEMBL196657SCHEMBL816712SCHEMBL1004977SCHEMBL169607941,2-DIMETHYL-3-ISOPROPYLBENZENE
Database identifiers
- CAS
22539-65-7- PubChem CID
- 519965
- DTXSID
DTXSID501026890- Nikkaji
- J1.837.081F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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