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Home Other Building Blocks 2,15-Hexadecanedione

2,15-Hexadecanedione

CAS No.:
18650-13-0
Catalog Number:
AG00I1TL
Molecular Formula:
C16H30O2
Molecular Weight:
254.4082
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Product Description
Catalog Number:
AG00I1TL
Chemical Name:
2,15-Hexadecanedione
CAS Number:
18650-13-0
Molecular Formula:
C16H30O2
Molecular Weight:
254.4082
MDL Number:
MFCD00039837
IUPAC Name:
hexadecane-2,15-dione
InChI:
InChI=1S/C16H30O2/c1-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(2)18/h3-14H2,1-2H3
InChI Key:
ANOHLAYDIMKILU-UHFFFAOYSA-N
SMILES:
CC(=O)CCCCCCCCCCCCC(=O)C
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.225g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.414g/mol
Monoisotopic Mass:
254.225g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Synthesis of omega-hydroxy carboxylic acids and alpha,omega-dimethyl ketones using alpha,omega-diols as alkylating agents. The Journal of organic chemistry 20100305
Properties