Home Other Building Blocks 3,5-dimethylhexan-2-one

3,5-dimethylhexan-2-one

CAS No.:
40239-21-2
Catalog Number:
AG01E73S
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
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Product Description
Catalog Number:
AG01E73S
Chemical Name:
3,5-dimethylhexan-2-one
CAS Number:
40239-21-2
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD11553492
IUPAC Name:
3,5-dimethylhexan-2-one
InChI:
InChI=1S/C8H16O/c1-6(2)5-7(3)8(4)9/h6-7H,5H2,1-4H3
InChI Key:
YJESALUAHUVISI-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)C)C)C
Properties
Complexity:
94.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties