Basic information
- CAS
188834-58-4- Standard SMILES
CC(C)CC1=CC=CC1- InChIKey
GHJATKVLNMETBA-UHFFFAOYSA-N- Molecular formula
- C9H14
- Average molar mass
- 122.21 g/mol
- Monoisotopic mass
- 122.10955045
Names & identifiers
- Preferred name
- 1,3-Cyclopentadiene, 1-(2-methylpropyl)
- IUPAC
- 1-(2-methylpropyl)cyclopenta-1,3-diene
Names & synonyms
1,3-Cyclopentadiene, 1-(2-methylpropyl)188834-58-4DTXSID00335965RefChem:218221DTXCID80287054GHJATKVLNMETBA-UHFFFAOYSA-N1-(2-methylpropyl)cyclopenta-1,3-dieneSCHEMBL412042SCHEMBL1962321SCHEMBL15533526SCHEMBL15533527SCHEMBL27562365
Database identifiers
- CAS
188834-58-4- PubChem CID
- 528164
- DTXSID
DTXSID00335965- Nikkaji
- J1.953.989J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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