Structure Database (LMSD)
Common Name
1-Hexadecen-3-one
Systematic Name
1-Hexadecen-3-one
Synonyms
3D model of 1-Hexadecen-3-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
VKZGZMNKJFNRAV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h4H,2-3,5-15H2,1H3
SMILES (Click to copy)
C=CC(=O)CCCCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
288.87
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
5.44
Molar Refractivity
76.28
Admin
Created at
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Updated at
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