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Bicyclohexyl-3-ene (HCID 524573)|Huagongshe
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Compound
Bicyclohexyl-3-ene
HCID
524573
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
C1=CCC(C2CCCCC2)CC1
InChIKey
NHEQDCVKZARUJD-UHFFFAOYSA-N
Molecular formula
C12H20
Average molar mass
164.29 g/mol
Names & identifiers
Preferred name
Bicyclohexyl-3-ene
IUPAC
4-cyclohexylcyclohexene
Names & synonyms
Bicyclohexyl-3-ene
4-cyclohexyl-1-cyclohexene
SCHEMBL1133217
SCHEMBL1524614
SCHEMBL8216847
Database identifiers
PubChem CID
524573
Properties
Computed structural properties
XLogP
4.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
151
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
119201
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
1433111
As product
uspto-grants-2009_11
Compound notes
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