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139665-46-6 | Octadecanoic acid, 2,3-bis[(1-oxodecyl)oxy]propyl ester
CAS No: 139665-46-6 Catalog No: AG001BH3 MDL No:
Product Description
Catalog Number:
AG001BH3
Chemical Name:
Octadecanoic acid, 2,3-bis[(1-oxodecyl)oxy]propyl ester
CAS Number:
139665-46-6
Molecular Formula:
C41H78O6
Molecular Weight:
667.0544
IUPAC Name:
2,3-di(decanoyloxy)propyl octadecanoate
InChI:
InChI=1S/C41H78O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-26-28-31-34-40(43)46-37-38(47-41(44)35-32-29-25-15-12-9-6-3)36-45-39(42)33-30-27-24-14-11-8-5-2/h38H,4-37H2,1-3H3
InChI Key:
AMSHZNDZYYUTCY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC
Properties
Complexity:
693
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
666.58g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
667.069g/mol
Monoisotopic Mass:
666.58g/mol
Rotatable Bond Count:
40
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
16.5
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