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78-17-1 | Decanoic acid,1,1'-[2-ethyl-2-[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl] ester
CAS No: 78-17-1 Catalog No: AG0054PR MDL No:
Product Description
Catalog Number:
AG0054PR
Chemical Name:
Decanoic acid,1,1'-[2-ethyl-2-[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl] ester
CAS Number:
78-17-1
Molecular Formula:
C36H68O6
Molecular Weight:
596.9215
IUPAC Name:
2,2-bis(decanoyloxymethyl)butyl decanoate
InChI:
InChI=1S/C36H68O6/c1-5-9-12-15-18-21-24-27-33(37)40-30-36(8-4,31-41-34(38)28-25-22-19-16-13-10-6-2)32-42-35(39)29-26-23-20-17-14-11-7-3/h5-32H2,1-4H3
InChI Key:
QQGBDFMKLXCNHD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC)CC
EC Number:
201-090-6
UNII:
X307CM75YF
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
596.502g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
596.934g/mol
Monoisotopic Mass:
596.502g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.1
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