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105050-84-8 | Octadecane, 1-(4-iodobutoxy)-
CAS No: 105050-84-8 Catalog No: AG0085DX MDL No:
Product Description
Catalog Number:
AG0085DX
Chemical Name:
Octadecane, 1-(4-iodobutoxy)-
CAS Number:
105050-84-8
Molecular Formula:
C22H45IO
Molecular Weight:
452.4966
IUPAC Name:
1-(4-iodobutoxy)octadecane
InChI:
InChI=1S/C22H45IO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23/h2-22H2,1H3
InChI Key:
WWWAAEIOHQQQCS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOCCCCI
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.252g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.505g/mol
Monoisotopic Mass:
452.252g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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