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102674-28-2 | 1,4,7,10,13,16-Hexaoxacyclooctadecane, 2-[(octadecyloxy)methyl]-
CAS No: 102674-28-2 Catalog No: AG00082Y MDL No:
Product Description
Catalog Number:
AG00082Y
Chemical Name:
1,4,7,10,13,16-Hexaoxacyclooctadecane, 2-[(octadecyloxy)methyl]-
CAS Number:
102674-28-2
Molecular Formula:
C31H62O7
Molecular Weight:
546.8198
IUPAC Name:
2-(octadecoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
InChI:
InChI=1S/C31H62O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36-29-31-30-37-26-25-34-22-21-32-19-20-33-23-24-35-27-28-38-31/h31H,2-30H2,1H3
InChI Key:
LFCLYOCUAYMZDE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOCC1COCCOCCOCCOCCOCCO1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
546.45g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
546.83g/mol
Monoisotopic Mass:
546.45g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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