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74649-89-1 | 1,4,7,10,13-Pentaoxacyclopentadecane,2-dodecyl-
CAS No: 74649-89-1 Catalog No: AG005J1T MDL No:
Product Description
Catalog Number:
AG005J1T
Chemical Name:
1,4,7,10,13-Pentaoxacyclopentadecane,2-dodecyl-
CAS Number:
74649-89-1
Molecular Formula:
C22H44O5
Molecular Weight:
388.5818
IUPAC Name:
2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane
InChI:
InChI=1S/C22H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-22-21-26-18-17-24-14-13-23-15-16-25-19-20-27-22/h22H,2-21H2,1H3
InChI Key:
DFWQSNWJMXKBJS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC1OCCOCCOCCOCCOC1
EC Number:
277-940-5
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.319g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.589g/mol
Monoisotopic Mass:
388.319g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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