Structure Database (LMSD)
Common Name
5-methyl-tetradecanedioic acid
Systematic Name
5-methyl-tetradecanedioic acid
Synonyms
LM ID
LMFA01170020
Formula
Exact Mass
Calculate m/z
272.19876
Sum Composition
Status
Active
3D model of 5-methyl-tetradecanedioic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
TVZISBAEBOPHEZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H28O4/c1-13(10-8-12-15(18)19)9-6-4-2-3-5-7-11-14(16)17/h13H,2-12H2,1H3,(H,16,17)(H,18,19)
SMILES (Click to copy)
C(CCCC(C)CCCCCCCCC(=O)O)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
297.94
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.08
Molar Refractivity
75.22
Admin
Created at
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Updated at
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