Structure Database (LMSD)
Common Name
5-methyl-2-undecenoic acid
Systematic Name
5-methyl-2-undecenoic acid
Synonyms
3D model of 5-methyl-2-undecenoic 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)
ROYFWQWGQUTENN-JXMROGBWSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-3-4-5-6-8-11(2)9-7-10-12(13)14/h7,10-11H,3-6,8-9H2,1-2H3,(H,13,14)/b10-7+
SMILES (Click to copy)
C(C)CCCCC(C)C/C=C/C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
228.46
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.62
Molar Refractivity
59.32
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Created at
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Updated at
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