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Dicyclohexyl ketone

CAT: 0931-T20569-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T20569-01Size:2 mg
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CAS Number
119-60-8
Target
Others
Related Pathways
Others
Purity
0.9866
Bioactivity
Dicyclohexyl ketone (Cyclohexane ketone) is a vulcanization accelerator.
Smiles
O=C(C1CCCCC1)C1CCCCC1
Molecular Formula
C13H22O
Molecular Weight
194.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dicyclohexyl ketone

dicyclohexyl ketone has been reported in Scutellaria barbata with data available.

CAS Number119-60-8
PubChem CID8403
IUPAC Namedicyclohexylmethanone
Molecular FormulaC13H22O
Molecular Weight194.31
XLogP4.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity165
SMILES
C1CCC(CC1)C(=O)C2CCCCC2
InChI
InChI=1S/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey
TWXWPPKDQOWNSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dicyclohexyl ketone
CAS: 119-60-8
CID: 8403
Formula: C13H22O
MW: 194.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.31
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass194.167065321
Monoisotopic Mass194.167065321
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity165
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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