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114479-85-5 | Octadecanoic acid, 2-[2-(dodecylthio)ethoxy]ethyl ester
CAS No: 114479-85-5 Catalog No: AG000EI2 MDL No:
Product Description
Catalog Number:
AG000EI2
Chemical Name:
Octadecanoic acid, 2-[2-(dodecylthio)ethoxy]ethyl ester
CAS Number:
114479-85-5
Molecular Formula:
C34H68O3S
Molecular Weight:
556.9669
IUPAC Name:
2-(2-dodecylsulfanylethoxy)ethyl octadecanoate
InChI:
InChI=1S/C34H68O3S/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-34(35)37-30-29-36-31-33-38-32-27-25-23-21-14-12-10-8-6-4-2/h3-33H2,1-2H3
InChI Key:
CEVLUAWZMOSVMQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCCOCCSCCCCCCCCCCCC
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
556.489g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
556.975g/mol
Monoisotopic Mass:
556.489g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.6
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