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138509-50-9 | 8-Heptadecanone, 5,13-diethyl-10-methyl-
CAS No: 138509-50-9 Catalog No: AG0019BW MDL No:
Product Description
Catalog Number:
AG0019BW
Chemical Name:
8-Heptadecanone, 5,13-diethyl-10-methyl-
CAS Number:
138509-50-9
Molecular Formula:
C22H44O
Molecular Weight:
324.5842
IUPAC Name:
5,13-diethyl-10-methylheptadecan-8-one
InChI:
InChI=1S/C22H44O/c1-6-10-12-20(8-3)15-14-19(5)18-22(23)17-16-21(9-4)13-11-7-2/h19-21H,6-18H2,1-5H3
InChI Key:
RIYFRMBYZKXNHM-UHFFFAOYSA-N
SMILES:
CCCCC(CCC(CC(=O)CCC(CCCC)CC)C)CC
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.339g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.593g/mol
Monoisotopic Mass:
324.339g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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