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1,1’-Bicyclohexyl

CAT: 0572-TRC-B382880-100MLSize: 100 mLDry Ice: NoHazardous: No
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CAT#:0572-TRC-B382880-100MLSize:100 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
92-51-3
Synonyms
Bicyclohexyl (6CI,8CI); 1,1'-Biphenyl, dodecahydro-; Cyclohexane, cyclohexyl-; Cyclohexylcyclohexane; Dicyclohexane; Dicyclohexyl; Dodecahydrobiphenyl; NSC 59855
Hazard Statement
May be fatal if swallowed and enters airways; UN number: UN3082; Packing Group: III
Purity
>95% (GC)
Smiles
C1CCC(CC1)C2CCCCC2
Molecular Formula
C12 H22
Molecular Weight
166.3
InChI
InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2
Additionnal Information
IUPAC name: cyclohexylcyclohexane
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Bicyclohexyl

bicyclohexyl has been reported in Pulicaria arabica with data available.

CAS Number92-51-3
PubChem CID7094
IUPAC Namecyclohexylcyclohexane
Molecular FormulaC12H22
Molecular Weight166.30
XLogP5.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity100
SMILES
C1CCC(CC1)C2CCCCC2
InChI
InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey
WVIIMZNLDWSIRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bicyclohexyl
CAS: 92-51-3
CID: 7094
Formula: C12H22
MW: 166.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.30
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass166.172150702
Monoisotopic Mass166.172150702
Topological Polar Surface Area0 Ų
Heavy Atom Count12
Formal Charge0
Complexity100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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