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138966-03-7 | Dotriacontane, 1,32-diiodo-3,7,11,15,18,22,26,30-octamethyl-
CAS No: 138966-03-7 Catalog No: AG0019YD MDL No:
Product Description
Catalog Number:
AG0019YD
Chemical Name:
Dotriacontane, 1,32-diiodo-3,7,11,15,18,22,26,30-octamethyl-
CAS Number:
138966-03-7
Molecular Formula:
C40H80I2
Molecular Weight:
814.8721
IUPAC Name:
1,32-diiodo-3,7,11,15,18,22,26,30-octamethyldotriacontane
InChI:
InChI=1S/C40H80I2/c1-33(15-9-17-35(3)21-13-25-39(7)29-31-41)19-11-23-37(5)27-28-38(6)24-12-20-34(2)16-10-18-36(4)22-14-26-40(8)30-32-42/h33-40H,9-32H2,1-8H3
InChI Key:
XGQXIYAVYKJTHQ-UHFFFAOYSA-N
SMILES:
ICCC(CCCC(CCCC(CCCC(CCC(CCCC(CCCC(CCCC(CCI)C)C)C)C)C)C)C)C
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
814.435g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
814.889g/mol
Monoisotopic Mass:
814.435g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
21.1
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