Home Other Building Blocks 2,4-Dimethyl-3-Pentanone

2,4-Dimethyl-3-Pentanone

CAS No.:
565-80-0
Catalog Number:
AG003FU5
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
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Product Description
Catalog Number:
AG003FU5
Chemical Name:
2,4-Dimethyl-3-Pentanone
CAS Number:
565-80-0
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
MDL Number:
MFCD00008918
IUPAC Name:
2,4-dimethylpentan-3-one
InChI:
InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
InChI Key:
HXVNBWAKAOHACI-UHFFFAOYSA-N
SMILES:
CC(C(=O)C(C)C)C
EC Number:
209-294-7
UNII:
7AAP3A50IG
NSC Number:
14662
Properties
Complexity:
72.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.104g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.188g/mol
Monoisotopic Mass:
114.104g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Validation of the distal effect of electron-withdrawing groups on the stability of peptide enolates and its exploitation in the controlled stereochemical inversion of amino acid derivatives. The Journal of organic chemistry 20110805
Phosphodiesterase inhibitors. Part 1: Synthesis and structure-activity relationships of pyrazolopyridine-pyridazinone PDE inhibitors developed from ibudilast. Bioorganic & medicinal chemistry letters 20110601
Proliferating cell nuclear antigen (PCNA) regulates primordial follicle assembly by promoting apoptosis of oocytes in fetal and neonatal mouse ovaries. PloS one 20110101
The distal effect of electron-withdrawing groups and hydrogen bonding on the stability of peptide enolates. Journal of the American Chemical Society 20100421
Hydrogenation of hindered ketones catalyzed by a silica-supported compact phosphine-Rh system. Organic letters 20081016
Synthesis of 2H-1,2-benzothiazine 1,1-dioxides via heteroannulation reactions of 2-iodobenzenesulfonamide with ketone enolates under S(RN)1 conditions. The Journal of organic chemistry 20051111
Direct preparation of allylic zirconium reagents from zirconocene-olefin complexes and alkenes. The Journal of organic chemistry 20040514
Innovative reactions mediated by zirconocene. Chemical record (New York, N.Y.) 20040101
Properties