Basic information
- CAS
6249-23-6- Standard SMILES
C1=CC(=C2C=C2)C=C1- InChIKey
ZXWMPJFQZJXFQN-UHFFFAOYSA-N- Molecular formula
- C8H6
- Average molar mass
- 102.13 g/mol
- Monoisotopic mass
- 102.04695019
Names & identifiers
- Preferred name
- 5-(2-Cyclopropen-1-ylidene)-1,3-cyclopentadiene
- IUPAC
- 5-cycloprop-2-en-1-ylidenecyclopenta-1,3-diene
- English name
- 5-(2-Cyclopropen-1-ylidene)-1,3-cyclopentadiene
- Molecular formula
- C8H6
- Molecular weight
- 102.13
Names & synonyms
Calicene6249-23-623W88U3WAK5-(2-Cyclopropen-1-ylidene)-1,3-cyclopentadieneRefChem:1072383TriapentafulvenePentatriafulvalene5-(Cycloprop-2-en-1-ylidene)cyclopenta-1,3-dieneSCHEMBL7941211DTXSID604866295-(2-Cyclopropen-1-ylidene)cyclopentadieneCyclopentadiene, 5-(2-cyclopropen-1-ylidene)-
Show more names
1,3-Cyclopentadiene, 5-(2-cyclopropen-1-ylidene)-Q21099672
Database identifiers
- CAS
6249-23-6- PubChem CID
- 12302244
- DTXSID
DTXSID60486629- UNII
- 23W88U3WAK
- Nikkaji
- J13.228D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 191.2 · 191.2±7.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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