Basic information
- CAS
61215-71-2- Standard SMILES
CCCCCCCC1=CC=CCC1- InChIKey
LXVXYFGIPDWFHW-UHFFFAOYSA-N- Molecular formula
- C13H22
- Average molar mass
- 178.31 g/mol
- Monoisotopic mass
- 178.1721507
Names & identifiers
- Preferred name
- 1-Heptylcyclohexa-1,3-diene
- IUPAC
- 1-heptylcyclohexa-1,3-diene
Names & synonyms
1-HEPTYLCYCLOHEXA-1,3-DIENE61215-71-2SCHEMBL18802263DTXSID80601837
Database identifiers
- CAS
61215-71-2- PubChem CID
- 20032401
- DTXSID
DTXSID80601837
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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