Structure Database (LMSD)
Common Name
5-methyl-2E-tridecenoic acid
Systematic Name
5-methyl-2E-tridecenoic acid
Synonyms
3D model of 5-methyl-2E-tridecenoic 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)
HRQKXMSCZPCUSK-FMIVXFBMSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-10-13(2)11-9-12-14(15)16/h9,12-13H,3-8,10-11H2,1-2H3,(H,15,16)/b12-9+
SMILES (Click to copy)
C(CCC)CCCCC(C)C/C=C/C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
263.06
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.40
Molar Refractivity
68.55
Admin
Created at
-
Updated at
-