Basic information
- CAS
61827-87-0- Standard SMILES
CCc1c(C)ccc(C)c1C- InChIKey
KQRPSLILDAZZMH-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- 1,2,4-Trimethyl-3-Ethylbenzene
- IUPAC
- 2-ethyl-1,3,4-trimethylbenzene
Names & synonyms
Benzene, 1,2,4-trimethyl-3-ethyl1,2,4-Trimethyl-3-Ethylbenzene1-ethyl-2,3,6-trimethylbenzene2-ethyl-1,3,4-trimethylbenzene61827-87-02-ethyl-1,3,4-trimethyl-benzeneSCHEMBL1611241SCHEMBL1611243SCHEMBL3456090SCHEMBL8801938KQRPSLILDAZZMH-UHFFFAOYSA-NDTXSID601025738
Database identifiers
- CAS
61827-87-0- PubChem CID
- 528692
- DTXSID
DTXSID601025738- Nikkaji
- J392.468H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 117
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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