Structure Database (LMSD)
Common Name
2-dodecenal
Systematic Name
2-dodecenal
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2-dodecenal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
SSNZFFBDIMUILS-ZHACJKMWSA-N
InChi (Click to copy)
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+
SMILES (Click to copy)
C(CC)CCCCCC/C=C/C([H])=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
219.67
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
3.88
Molar Refractivity
57.81
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Created at
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Updated at
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