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13149-85-4 | 3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxatetrapentacontan-1-ol
CAS No: 13149-85-4 Catalog No: AG000WB0 MDL No:
Product Description
Catalog Number:
AG000WB0
Chemical Name:
3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxatetrapentacontan-1-ol
CAS Number:
13149-85-4
Molecular Formula:
C42H86O13
Molecular Weight:
799.1244
IUPAC Name:
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
InChI:
InChI=1S/C42H86O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-44-21-23-46-25-27-48-29-31-50-33-35-52-37-39-54-41-42-55-40-38-53-36-34-51-32-30-49-28-26-47-24-22-45-20-18-43/h43H,2-42H2,1H3
InChI Key:
LAHYRVKTBDEJGJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
798.607g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
799.137g/mol
Monoisotopic Mass:
798.607g/mol
Rotatable Bond Count:
52
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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