Structure Database (LMSD)
Common Name
3-iodo-hexadecanoic acid
Systematic Name
3-iodo-hexadecanoic acid
Synonyms
- Hexadecanoic acid, 3-iodo-
LM ID
LMFA01090038
Formula
C16H31IO2
Exact Mass
Calculate m/z
382.136882
Status
Active
3D model of 3-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)
NCMJGOFMXHKQDT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15H,2-14H2,1H3,(H,18,19)
SMILES (Click to copy)
C(CC(I)CCCCCCCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
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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