Basic information
- CAS
14847-23-5- Standard SMILES
C1=CCCCC=1- InChIKey
NMGSDTSOSIPXTN-UHFFFAOYSA-N- Molecular formula
- C6H8
- Average molar mass
- 80.13 g/mol
- Monoisotopic mass
- 80.06260026
Overview
Cyclohexa-1,2-diene is a member of allenes and a cyclohexadiene.
Names & identifiers
- Preferred name
- 1,2-Cyclohexadiene
- IUPAC
- cyclohexa-1,2-diene
- English name
- Cyclohexa-1,2-diene
- Molecular formula
- C6H8
- Molecular weight
- 80.13
Names & synonyms
1,2-cyclohexadiene14847-23-5DTXSID50275105RefChem:1052204DTXCID70226553cyclohexa-1,2-diene4-cyclohexadieneSCHEMBL354987SCHEMBL2489585SCHEMBL3459625SCHEMBL3459626SCHEMBL7406065
Show more names
CHEBI:37612Q27117207
Database identifiers
- CAS
14847-23-5- PubChem CID
- 34700
- DTXSID
DTXSID50275105- ChEBI
CHEBI:37612- Nikkaji
- J81.800C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 70.7
Physicochemical properties
- Melting point
- 34.5 °C · 34.5 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 80.5 · 80.5-82 °C
- Density
- 0.78 · 0.78±0.1 g/cm3(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Cyclohexa-1,2-diene is a cyclohexadiene and a member of allenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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