Basic information
- CAS
62247-88-5- Standard SMILES
CCCCC1=CCC=C1- InChIKey
HILJWHUIEBFFEW-UHFFFAOYSA-N- Molecular formula
- C9H14
- Average molar mass
- 122.21 g/mol
- Monoisotopic mass
- 122.10955045
Names & identifiers
- Preferred name
- 1,3-Cyclopentadiene, 2-butyl
- IUPAC
- 2-butylcyclopenta-1,3-diene
Names & synonyms
1,3-Cyclopentadiene, 2-butyl62247-88-5DTXSID50335970RefChem:218227DTXCID80287059HILJWHUIEBFFEW-UHFFFAOYSA-N2-butylcyclopenta-1,3-dieneSCHEMBL217267SCHEMBL525643SCHEMBL2802323SCHEMBL20561116
Database identifiers
- CAS
62247-88-5- PubChem CID
- 528174
- DTXSID
DTXSID50335970- Nikkaji
- J1.183.243A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 129
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…