Structure Database (LMSD)
Common Name
5-Ethyl-2-tridecen-4-one
Systematic Name
5-Ethyl-2-tridecen-4-one
Synonyms
3D model of 5-Ethyl-2-tridecen-4-one
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)
YWCLNCPXAMMFQQ-LFYBBSHMSA-N
InChi (Click to copy)
InChI=1S/C15H28O/c1-4-7-8-9-10-11-13-14(6-3)15(16)12-5-2/h5,12,14H,4,6-11,13H2,1-3H3/b12-5+
SMILES (Click to copy)
C/C=C/C(=O)C(CC)CCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
271.57
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
4.91
Molar Refractivity
71.60
Admin
Created at
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Updated at
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