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105473-51-6 | Butanedioic acid, 2,3-bis(hexadecyloxy)propyl2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl ester
CAS No: 105473-51-6 Catalog No: AG007EL2 MDL No:
Product Description
Catalog Number:
AG007EL2
Chemical Name:
Butanedioic acid, 2,3-bis(hexadecyloxy)propyl2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl ester
CAS Number:
105473-51-6
Molecular Formula:
C45H83O8-
Molecular Weight:
752.1357
IUPAC Name:
4-[4,5-dihexadecoxy-2-(2-methylprop-2-enoyloxy)pentoxy]-4-oxobutanoate
InChI:
InChI=1S/C45H84O8/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-50-38-41(37-42(53-45(49)40(3)4)39-52-44(48)34-33-43(46)47)51-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h41-42H,3,5-39H2,1-2,4H3,(H,46,47)/p-1
InChI Key:
SYIPEFVCOMNCIC-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCOCC(CC(OC(=O)C(=C)C)COC(=O)CCC(=O)[O-])OCCCCCCCCCCCCCCCC
Properties
Complexity:
854
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
751.609g/mol
Formal Charge:
-1
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
752.151g/mol
Monoisotopic Mass:
751.609g/mol
Rotatable Bond Count:
43
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
16.7
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