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25052-37-3 | 37,38,39,40,41,42-Hexaoxaheptacyclo[32.2.1.14,7.110,13.116,19.122,25.128,31]dotetracontane
CAS No: 25052-37-3 Catalog No: AG002QA2 MDL No:
Product Description
Catalog Number:
AG002QA2
Chemical Name:
37,38,39,40,41,42-Hexaoxaheptacyclo[32.2.1.14,7.110,13.116,19.122,25.128,31]dotetracontane
CAS Number:
25052-37-3
Molecular Formula:
C36H60O6
Molecular Weight:
588.8580
IUPAC Name:
37,38,39,40,41,42-hexaoxaheptacyclo[32.2.1.14,7.110,13.116,19.122,25.128,31]dotetracontane
InChI:
InChI=1S/C36H60O6/c1-2-26-15-16-28-5-6-30(39-28)19-20-32-9-10-34(41-32)23-24-36-12-11-35(42-36)22-21-33-8-7-31(40-33)18-17-29-4-3-27(38-29)14-13-25(1)37-26/h25-36H,1-24H2
InChI Key:
YCJDADWAWDJQQV-UHFFFAOYSA-N
SMILES:
C1CC2CCC(O2)CCC2CCC(O2)CCC2CCC(O2)CCC2OC(CCC3OC(CCC4OC1CC4)CC3)CC2
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
588.439g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
588.87g/mol
Monoisotopic Mass:
588.439g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
12
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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