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Home > Other Building Blocks > 136841-68-4
136841-68-4 | 1-Hentetracontanol, 18,23-dioctadecyl-
CAS No: 136841-68-4 Catalog No: AG0012G5 MDL No:
Product Description
Catalog Number:
AG0012G5
Chemical Name:
1-Hentetracontanol, 18,23-dioctadecyl-
CAS Number:
136841-68-4
Molecular Formula:
C77H156O
Molecular Weight:
1098.0619
IUPAC Name:
18,23-dioctadecylhentetracontan-1-ol
InChI:
InChI=1S/C77H156O/c1-4-7-10-13-16-19-22-25-28-32-37-42-47-52-57-62-69-76(70-63-58-53-48-43-38-33-29-26-23-20-17-14-11-8-5-2)73-66-67-74-77(71-64-59-54-49-44-39-34-30-27-24-21-18-15-12-9-6-3)72-65-60-55-50-45-40-35-31-36-41-46-51-56-61-68-75-78/h76-78H,4-75H2,1-3H3
InChI Key:
XSFVHOZETZSJDL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)CCCCC(CCCCCCCCCCCCCCCCCO)CCCCCCCCCCCCCCCCCC
Properties
Complexity:
950
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1097.216g/mol
Formal Charge:
0
Heavy Atom Count:
78
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
1098.094g/mol
Monoisotopic Mass:
1097.216g/mol
Rotatable Bond Count:
73
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
39.8
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