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3,3-Dimethylcyclohexanone

CAT: 0804-HY-79034-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-79034-01Size:25 g
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Description
3,3-Dimethylcyclohexanone is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
2979-19-3
UNSPSC
12352200
Hazard Statement
H226, H318
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/3-3-dimethylcyclohexanone.html
Purity
99.45
Solubility
10 mM in DMSO
Smiles
O=C1CCCC(C)(C)C1
Molecular Formula
C8H14O
Molecular Weight
126.20
Precautions
H226, H318
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Cyclohexanone, 3,3-dimethyl-
CAS Number2979-19-3
PubChem CID76322
IUPAC Name3,3-dimethylcyclohexan-1-one
Molecular FormulaC8H14O
Molecular Weight126.20
XLogP1.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity125
SMILES
CC1(CCCC(=O)C1)C
InChI
InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3
InChIKey
ZVJQBBYAVPAFLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexanone, 3,3-dimethyl-
CAS: 2979-19-3
CID: 76322
Formula: C8H14O
MW: 126.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.20
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass126.104465066
Monoisotopic Mass126.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity125
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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Alternative Products

CatalogName
FD29427-013,3-Dimethylcyclohexanone
9040253,3‐DIMETHYLCYCLOHEXANONE
OR938021-013,4-Dimethylcyclohexanone
OR938239-013,5-Dimethylcyclohexanone
RG-E141582-015-Hydroxy-3,3-dimethylcyclohexanone
OR1066820-014-Hydroxy-3,3-dimethylcyclohexanone
sc-4855423,4-Dimethylcyclohexanone (mixture of isomers)
280175-01S- (+) -3-Hydroxy-2,2-dimethylcyclohexanone
TRC-D464510-250MG(3R,5S)-rel-3,5-Dimethylcyclohexanone
sc-485504(S) - (+) -3-Hydroxy-2,2-dimethylcyclohexanone

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