Home Other Building Blocks 4-tert-Amylcyclohexanone

4-tert-Amylcyclohexanone

CAS No.:
16587-71-6
Catalog Number:
AG001WDZ
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$50
- +
100g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG001WDZ
Chemical Name:
4-tert-Amylcyclohexanone
CAS Number:
16587-71-6
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
MDL Number:
MFCD00013798
IUPAC Name:
4-(2-methylbutan-2-yl)cyclohexan-1-one
InChI:
InChI=1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3
InChI Key:
DCSKAMGZSIRJAQ-UHFFFAOYSA-N
SMILES:
CCC(C1CCC(=O)CC1)(C)C
EC Number:
240-642-0
UNII:
5380BWU79X
NSC Number:
21167
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties