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100258-45-5 | Octadecanoic acid, 12-[(1-oxooctadecyl)oxy]-, 2-hexyldecyl ester
CAS No: 100258-45-5 Catalog No: AG0001EM MDL No:
Product Description
Catalog Number:
AG0001EM
Chemical Name:
Octadecanoic acid, 12-[(1-oxooctadecyl)oxy]-, 2-hexyldecyl ester
CAS Number:
100258-45-5
Molecular Formula:
C52H102O4
Molecular Weight:
791.3639
IUPAC Name:
2-hexyldecyl 12-octadecanoyloxyoctadecanoate
InChI:
InChI=1S/C52H102O4/c1-5-9-13-17-19-20-21-22-23-24-25-26-31-35-41-47-52(54)56-50(44-38-16-12-8-4)45-39-33-29-27-28-30-34-40-46-51(53)55-48-49(42-36-15-11-7-3)43-37-32-18-14-10-6-2/h49-50H,5-48H2,1-4H3
InChI Key:
YGERJSGCMKZWEK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCC
EC Number:
309-389-4
Properties
Complexity:
781
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
790.778g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
791.384g/mol
Monoisotopic Mass:
790.778g/mol
Rotatable Bond Count:
49
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
23.1
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