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716339-43-4 | 3,6,9,12-Tetraoxatricos-22-enoic acid, 1,1-dimethylethyl ester
CAS No: 716339-43-4 Catalog No: AG005G98 MDL No:
Product Description
Catalog Number:
AG005G98
Chemical Name:
3,6,9,12-Tetraoxatricos-22-enoic acid, 1,1-dimethylethyl ester
CAS Number:
716339-43-4
Molecular Formula:
C23H44O6
Molecular Weight:
416.5919
IUPAC Name:
tert-butyl 2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetate
InChI:
InChI=1S/C23H44O6/c1-5-6-7-8-9-10-11-12-13-14-25-15-16-26-17-18-27-19-20-28-21-22(24)29-23(2,3)4/h5H,1,6-21H2,2-4H3
InChI Key:
JMTCSWVBPXKKFB-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCCCOCCOCCOCCOCC(=O)OC(C)(C)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.314g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.599g/mol
Monoisotopic Mass:
416.314g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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