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Home Other Building Blocks 3,3,5-Trimethylcyclohexanone

3,3,5-Trimethylcyclohexanone

CAS No.:
873-94-9
Catalog Number:
AG004JV7
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
99%(GC)
In Stock USA
United States
$39
- +
25g
99%(GC)
In Stock USA
United States
$57
- +
Product Description
Catalog Number:
AG004JV7
Chemical Name:
3,3,5-Trimethylcyclohexanone
CAS Number:
873-94-9
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD00019466
IUPAC Name:
3,3,5-trimethylcyclohexan-1-one
InChI:
InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
InChI Key:
POSWICCRDBKBMH-UHFFFAOYSA-N
SMILES:
CC1CC(=O)CC(C1)(C)C
EC Number:
212-855-9
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Mechanistic insights into the proline-directed enantioselective heterogeneous hydrogenation of isophorone. Langmuir : the ACS journal of surfaces and colloids 20070522
3,3,5-Trimethylcyclohexanols and derived esters: green synthetic procedures, odour evaluation and in vitro skin cytotoxicity assays. International journal of cosmetic science 20061201
Heterogeneously catalyzed asymmetric C=C hydrogenation: origin of enantioselectivity in the proline-directed Pd/isophorone system. Journal of the American Chemical Society 20060607
Biological stereoselective reduction of 3,3,5-trimethylcyclohexanone by Glomerella cingulata. Natural product letters 20010101
Properties