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83585-75-5 | 1,4,7,10,13,16-Hexaoxacyclooctadecane, 2-[(octyloxy)methyl]-
CAS No: 83585-75-5 Catalog No: AG004UDW MDL No:
Product Description
Catalog Number:
AG004UDW
Chemical Name:
1,4,7,10,13,16-Hexaoxacyclooctadecane, 2-[(octyloxy)methyl]-
CAS Number:
83585-75-5
Molecular Formula:
C21H42O7
Molecular Weight:
406.5540
IUPAC Name:
2-(octoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
InChI:
InChI=1S/C21H42O7/c1-2-3-4-5-6-7-8-26-19-21-20-27-16-15-24-12-11-22-9-10-23-13-14-25-17-18-28-21/h21H,2-20H2,1H3
InChI Key:
PKRKQTFGVXPTBU-UHFFFAOYSA-N
SMILES:
CCCCCCCCOCC1COCCOCCOCCOCCOCCO1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.293g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.56g/mol
Monoisotopic Mass:
406.293g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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