Structure Database (LMSD)
Common Name
5,6-methylenetetradecanoic acid
Systematic Name
5,6-methylenetetradecanoic acid
Synonyms
- Cyclopropanebutanoic acid, 2-octyl-
No other lipid differing only in stereochemistry/bond geometry found
3D model of 5,6-methylenetetradecanoic 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)
HGTLIMXCUHOIQJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-9-13-12-14(13)10-8-11-15(16)17/h13-14H,2-12H2,1H3,(H,16,17)
SMILES (Click to copy)
C(CCCC1CC1CCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
1
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
270.64
Topological Polar Surface Area
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.63
Molar Refractivity
71.08
Admin
Created at
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Updated at
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