Structure Database (LMSD)
Common Name
2-lauroleic acid
Systematic Name
2-dodecenoic acid
Synonyms
- C12:1n-10
3D model of 2-lauroleic 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)
PAWGRNGPMLVJQH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
SMILES (Click to copy)
C(CC)CCCCCCC=CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
228.46
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.77
Molar Refractivity
59.39
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Created at
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Updated at
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