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2,4-Dimethyl-3-pentanone

CAT: 0024-sc-230987Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-230987Size:100 mL
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CAS Number
565-80-0

Chemical Information

2,4-Dimethyl-3-pentanone

2,4-dimethyl-3-pentanone is a pentanone that is pentan-3-one substituted by methyl groups at positions 2 and 4 respectively. It has a role as a metabolite. It is functionally related to a pentan-3-one.

CAS Number565-80-0
PubChem CID11271
IUPAC Name2,4-dimethylpentan-3-one
Molecular FormulaC7H14O
Molecular Weight114.19
XLogP1.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
CC(C)C(=O)C(C)C
InChI
InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
InChIKey
HXVNBWAKAOHACI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dimethyl-3-pentanone
CAS: 565-80-0
CID: 11271
Formula: C7H14O
MW: 114.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.19
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass114.104465066
Monoisotopic Mass114.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.4
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

Related Products

CatalogName
sc-2330144,4-Dimethyl-2-pentanone
sc-280378A3,3-Dimethyl-2-pentanone
sc-2803783,3-Dimethyl-2-pentanone
sc-281848A1- (4-Chlorophenyl) -4,4-dimethyl-3-pentanone
sc-2818481- (4-Chlorophenyl) -4,4-dimethyl-3-pentanone
sc-2309322,4-Dibromo-3-pentanone
sc-2382422,2,4,4-Tetramethyl-3-pentanone
sc-2309862,4-Dimethyl-3-pentanol
sc-206498A2,2,4,4-Tetramethyl-3-pentanone imine
sc-2064982,2,4,4-Tetramethyl-3-pentanone imine

Alternative Products

CatalogName
433505-014,4-Dimethyl-2-pentanone
HBA27829-014-Bromo-2,2-dimethyl-3-pentanone
OR1027158-012,4-Dibromo-2,4-Dimethyl-3-Pentanone
274396-013,3-Dimethyl-2-pentanone
269312-011- (4-Chlorophenyl) -4,4-dimethyl-3-pentanone
TRC-C382383-2.5G1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone
TRC-C382384-250MG1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone-D9
E5897353,4-Epoxy-2-pentanone
OR1058292-012,2,4-Trimethyl-3-pentanone
OR916803-012,2,4,4-Tetramethyl-3-pentanone imine

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