Basic information
- CAS
6301-51-5- Standard SMILES
CCCCC1=CC(CC)=CCC1- InChIKey
UFNYAMNPYFFIJB-UHFFFAOYSA-N- Molecular formula
- C12H20
- Average molar mass
- 164.29 g/mol
- Monoisotopic mass
- 164.15650064
Names & identifiers
- Preferred name
- 1-Butyl-3-ethylcyclohexa-1,3-diene
- IUPAC
- 1-butyl-3-ethylcyclohexa-1,3-diene
Names & synonyms
6301-51-51-butyl-3-ethylcyclohexa-1,3-dieneNSC43895DTXSID90286134NSC-438951-butyl-3-ethyl-cyclohexa-1,3-diene
Database identifiers
- CAS
6301-51-5- PubChem CID
- 239098
- DTXSID
DTXSID90286134- Nikkaji
- J798.394H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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