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138509-49-6 | 10-Heptadecen-8-one, 5,13-diethyl-10-methyl-
CAS No: 138509-49-6 Catalog No: AG0019BX MDL No:
Product Description
Catalog Number:
AG0019BX
Chemical Name:
10-Heptadecen-8-one, 5,13-diethyl-10-methyl-
CAS Number:
138509-49-6
Molecular Formula:
C22H42O
Molecular Weight:
322.5683
IUPAC Name:
5,13-diethyl-10-methylheptadec-10-en-8-one
InChI:
InChI=1S/C22H42O/c1-6-10-12-20(8-3)15-14-19(5)18-22(23)17-16-21(9-4)13-11-7-2/h14,20-21H,6-13,15-18H2,1-5H3
InChI Key:
ANOPYXAPCOGFPI-UHFFFAOYSA-N
SMILES:
CCCCC(CCC(=O)CC(=CCC(CCCC)CC)C)CC
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.324g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.577g/mol
Monoisotopic Mass:
322.324g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
8.7
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