Home Other Building Blocks 5-Isobutylcyclohexane-1,3-dione

5-Isobutylcyclohexane-1,3-dione

CAS No.:
57641-95-9
Catalog Number:
AG00EEAM
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$88
- +
5g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG00EEAM
Chemical Name:
5-Isobutylcyclohexane-1,3-dione
CAS Number:
57641-95-9
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD00129458
IUPAC Name:
5-(2-methylpropyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C10H16O2/c1-7(2)3-8-4-9(11)6-10(12)5-8/h7-8H,3-6H2,1-2H3
InChI Key:
LQNQODXUTPLCGH-UHFFFAOYSA-N
SMILES:
CC(CC1CC(=O)CC(=O)C1)C
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties