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88882-27-3

88882-27-3 | 2-Tritetracontanone, 6,10,14,18,22,26,30,34,38,42-decamethyl-

CAS No: 88882-27-3 Catalog No: AG0049XO MDL No:

Product Description

Catalog Number:
AG0049XO
Chemical Name:
2-Tritetracontanone, 6,10,14,18,22,26,30,34,38,42-decamethyl-
CAS Number:
88882-27-3
Molecular Formula:
C53H106O
Molecular Weight:
759.4081
IUPAC Name:
6,10,14,18,22,26,30,34,38,42-decamethyltritetracontan-2-one
InChI:
InChI=1S/C53H106O/c1-43(2)23-13-24-44(3)25-14-26-45(4)27-15-28-46(5)29-16-30-47(6)31-17-32-48(7)33-18-34-49(8)35-19-36-50(9)37-20-38-51(10)39-21-40-52(11)41-22-42-53(12)54/h43-52H,13-42H2,1-12H3
InChI Key:
XTHOFFVBOXJBPG-UHFFFAOYSA-N
SMILES:
CC(CCCC(CCCC(CCCC(CCCC(CCCC(=O)C)C)C)C)C)CCCC(CCCC(CCCC(CCCC(CCCC(C)C)C)C)C)C

Properties

Complexity:
799  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
758.824g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
759.43g/mol
Monoisotopic Mass:
758.824g/mol
Rotatable Bond Count:
40  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
9  
Undefined Bond Stereocenter Count:
0
XLogP3:
23.9  

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