Structure Database (LMSD)
Common Name
16-iodo-hexadecanoic acid
Systematic Name
16-iodo-hexadecanoic acid
Synonyms
- Hexadecanoic acid, 16-iodo-
- omega-Iodohexadecanoic acid
- 16-Iodohexadecanoic acid
LM ID
LMFA01090039
Formula
C16H31IO2
Exact Mass
Calculate m/z
382.136882
Status
Active
3D model of 16-iodo-hexadecanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RNTWMPKPEATMJA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H31IO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCI)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
325.58
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.25
Molar Refractivity
91.65
Admin
Created at
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Updated at
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