Home Other Building Blocks 2,5-DIMETHYLCYCLOHEXANONE

2,5-DIMETHYLCYCLOHEXANONE

CAS No.:
2816-57-1
Catalog Number:
AG003FZV
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$116
- +
25g
98%
In Stock USA
United States
$169
- +
Product Description
Catalog Number:
AG003FZV
Chemical Name:
2,5-DIMETHYLCYCLOHEXANONE
CAS Number:
2816-57-1
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD00001637
IUPAC Name:
2,6-dimethylcyclohexan-1-one
InChI:
InChI=1S/C8H14O/c1-6-4-3-5-7(2)8(6)9/h6-7H,3-5H2,1-2H3
InChI Key:
AILVYPLQKCQNJC-UHFFFAOYSA-N
SMILES:
O=C1C(C)CCCC1C
EC Number:
220-570-6
NSC Number:
5291
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Scalable enantioselective total synthesis of taxanes. Nature chemistry 20120101
Multiplexed rectilinear ion trap mass spectrometer for high-throughput analysis. Analytical chemistry 20060715
Properties