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Home > Other Heterocycles > 69878-46-2
69878-46-2 | 4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane,5-decyl-
CAS No: 69878-46-2 Catalog No: AG005HAW MDL No:
Product Description
Catalog Number:
AG005HAW
Chemical Name:
4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane,5-decyl-
CAS Number:
69878-46-2
Molecular Formula:
C28H56N2O6
Molecular Weight:
516.7540
IUPAC Name:
5-decyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
InChI:
InChI=1S/C28H56N2O6/c1-2-3-4-5-6-7-8-9-10-28-27-35-21-15-29-11-17-31-23-25-33-19-13-30(16-22-36-28)14-20-34-26-24-32-18-12-29/h28H,2-27H2,1H3
InChI Key:
XEMXZMVNMRQIED-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2
EC Number:
274-180-6
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.414g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.764g/mol
Monoisotopic Mass:
516.414g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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