Dicyclohexyl Ketone

CAT: 1596-AR-D06992-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D06992-01Size:10 Units

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CAS Number

119-60-8

Synonyms

Dicyclohexylmethanone

Molecular Formula

C13H22O

Molecular Weight

194.32

API Name

Dicycloverine

Chemical Information

Dicyclohexyl ketone

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

CAS Number	119-60-8
PubChem CID	8403
IUPAC Name	dicyclohexylmethanone
Molecular Formula	C13H22O
Molecular Weight	194.31
XLogP	4.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	165

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

CAS: 119-60-8

CID: 8403

Formula: C13H22O

MW: 194.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.31
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	194.167065321
Monoisotopic Mass	194.167065321
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	165
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-D06993-01	Dicyclohexyl Methanol
AR-M03394	Dicyclohexyl Phthalate
AR-S10994-01	Dicyclohexyl Sulfate
AR-C08589-01	N, N'-Dicyclohexyl-4-Morpholinecarboxamidine
AR-E09574-01	Elsholtzia Ketone Impurity 1 (Naginata Ketone)
AR-E11586-01	Ezetimibe Ketone
AR-M04288-01	Metaflumizone-Ketone
AR-M01735-01	Mexiletine Ketone
AR-P01471-01	Perilla Ketone
AR-E09573-01	Elsholtzia Ketone