Basic information
- CAS
22516-12-7- Standard SMILES
CCC1=CCC=C1- InChIKey
CBQAACXHLISDSO-UHFFFAOYSA-N- Molecular formula
- C7H10
- Average molar mass
- 94.15 g/mol
- Monoisotopic mass
- 94.07825032
Names & identifiers
- Preferred name
- 1,3-Cyclopentadiene, 2-ethyl
- IUPAC
- 2-ethylcyclopenta-1,3-diene
Names & synonyms
1,3-Cyclopentadiene, 2-ethyl22516-12-7DTXSID10335971RefChem:1052770DTXCID902870602-ethyl-1,3-cyclopentadiene2-ethylcyclopenta-1,3-dieneSCHEMBL217388SCHEMBL526288SCHEMBL1072103SCHEMBL27427848CBQAACXHLISDSO-UHFFFAOYSA-N
Database identifiers
- CAS
22516-12-7- PubChem CID
- 528176
- DTXSID
DTXSID10335971
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 107
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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