Structure Database (LMSD)
Common Name
5,6-methylene-tridecanoic acid
Systematic Name
5,6-methylene-tridecanoic acid
Synonyms
- 2-Heptylcyclopropanebutanoic acid
3D model of 5,6-methylene-tridecanoic 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)
KWRQIHPPLYNYJK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-2-3-4-5-6-8-12-11-13(12)9-7-10-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)
SMILES (Click to copy)
C1(CCCC(O)=O)CC1CCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
1
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
253.34
Topological Polar Surface Area
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.24
Molar Refractivity
66.46
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Created at
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Updated at
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