Home Other Building Blocks 2,2-Dimethyl-3-hexanone

2,2-Dimethyl-3-hexanone

CAS No.:
5405-79-8
Catalog Number:
AG003FBF
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$60
- +
5g
95%
In Stock USA
United States
$179
- +
25g
95%
In Stock USA
United States
$669
- +
Product Description
Catalog Number:
AG003FBF
Chemical Name:
2,2-Dimethyl-3-hexanone
CAS Number:
5405-79-8
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00027140
IUPAC Name:
2,2-dimethylhexan-3-one
InChI:
InChI=1S/C8H16O/c1-5-6-7(9)8(2,3)4/h5-6H2,1-4H3
InChI Key:
PYCHXHVFOZBVEY-UHFFFAOYSA-N
SMILES:
CCCC(=O)C(C)(C)C
NSC Number:
5229
Properties
Complexity:
97.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Variability of non-polar secondary metabolites in the red alga Portieria. Marine drugs 20110101
Properties