Structure Database (LMSD)
Common Name
3-Methylpentadecan-2-one
Systematic Name
3-Methylpentadecan-2-one
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3-Methylpentadecan-2-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)
OHERYIXJQJIISS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(3)17/h15H,4-14H2,1-3H3
SMILES (Click to copy)
CC(=O)C(C)CCCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
291.51
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
5.52
Molar Refractivity
76.31
Admin
Created at
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Updated at
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