Home Other Building Blocks 2,5,5-trimethylcyclohexanone

2,5,5-trimethylcyclohexanone

CAS No.:
33543-18-9
Catalog Number:
AG01BHV7
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
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Product Description
Catalog Number:
AG01BHV7
Chemical Name:
2,5,5-trimethylcyclohexanone
CAS Number:
33543-18-9
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD24688447
IUPAC Name:
2,5,5-trimethylcyclohexan-1-one
InChI:
InChI=1S/C9H16O/c1-7-4-5-9(2,3)6-8(7)10/h7H,4-6H2,1-3H3
InChI Key:
OITMBHSFQBJCFN-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CCC1C
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:
2.3  
Properties