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115365-43-0 | Octadecanoic acid, 2-(7-hexadecen-1-yl)-11-eicosen-1-yl ester
CAS No: 115365-43-0 Catalog No: AG000GMY MDL No:
Product Description
Catalog Number:
AG000GMY
Chemical Name:
Octadecanoic acid, 2-(7-hexadecen-1-yl)-11-eicosen-1-yl ester
CAS Number:
115365-43-0
Molecular Formula:
C54H104O2
Molecular Weight:
785.4024
IUPAC Name:
2-hexadec-7-enylicos-11-enyl octadecanoate
InChI:
InChI=1S/C54H104O2/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53(49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)52-56-54(55)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25,27-28,31,53H,4-24,26,29-30,32-52H2,1-3H3
InChI Key:
UMXQQDQSXLCIOV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC(CCCCCCC=CCCCCCCCC)CCCCCCCCC=CCCCCCCCC
Properties
Complexity:
783
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
784.804g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
785.424g/mol
Monoisotopic Mass:
784.804g/mol
Rotatable Bond Count:
49
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
25
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