Structure Database (LMSD)
Common Name
4-methyl-hexadecanedioic acid
Systematic Name
4-methyl-hexadecanedioic acid
Synonyms
LM ID
LMFA01170025
Formula
Exact Mass
Calculate m/z
300.23006
Sum Composition
Status
Active
3D model of 4-methyl-hexadecanedioic 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)
KSYZCGLLQVZXFS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O4/c1-15(13-14-17(20)21)11-9-7-5-3-2-4-6-8-10-12-16(18)19/h15H,2-14H2,1H3,(H,18,19)(H,20,21)
SMILES (Click to copy)
C(CCC(C)CCCCCCCCCCCC(=O)O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
332.54
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.86
Molar Refractivity
84.46
Admin
Created at
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Updated at
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