200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 100258-46-6
100258-46-6 | Octadecanoic acid, 12-[(1-oxooctadecyl)oxy]-, 2-octyldecyl ester
CAS No: 100258-46-6 Catalog No: AG0001EL MDL No:
Product Description
Catalog Number:
AG0001EL
Chemical Name:
Octadecanoic acid, 12-[(1-oxooctadecyl)oxy]-, 2-octyldecyl ester
CAS Number:
100258-46-6
Molecular Formula:
C54H106O4
Molecular Weight:
819.4170
IUPAC Name:
2-octyldecyl 12-octadecanoyloxyoctadecanoate
InChI:
InChI=1S/C54H106O4/c1-5-9-13-17-20-21-22-23-24-25-26-27-32-37-43-49-54(56)58-52(46-40-16-12-8-4)47-41-35-30-28-29-31-36-42-48-53(55)57-50-51(44-38-33-18-14-10-6-2)45-39-34-19-15-11-7-3/h51-52H,5-50H2,1-4H3
InChI Key:
OJZAYYRZOXLCEY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCC
EC Number:
309-391-5
Properties
Complexity:
795
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
818.809g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
819.438g/mol
Monoisotopic Mass:
818.809g/mol
Rotatable Bond Count:
51
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
24.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.