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289666-53-1

289666-53-1 | Dodecane, 1-(2-iodoethoxy)-2-(methoxymethoxy)-, (2S)-

CAS No: 289666-53-1 Catalog No: AG002V0L MDL No:

Product Description

Catalog Number:
AG002V0L
Chemical Name:
Dodecane, 1-(2-iodoethoxy)-2-(methoxymethoxy)-, (2S)-
CAS Number:
289666-53-1
Molecular Formula:
C16H33IO3
Molecular Weight:
400.3359
IUPAC Name:
(2S)-1-(2-iodoethoxy)-2-(methoxymethoxy)dodecane
InChI:
InChI=1S/C16H33IO3/c1-3-4-5-6-7-8-9-10-11-16(20-15-18-2)14-19-13-12-17/h16H,3-15H2,1-2H3/t16-/m0/s1
InChI Key:
RAUGMVUBACZTHJ-INIZCTEOSA-N
SMILES:
CCCCCCCCCC[C@@H](COCCI)OCOC

Properties

Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
400.147g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.341g/mol
Monoisotopic Mass:
400.147g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  

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