Structure Database (LMSD)

Common Name
3-Methyl-3E-decen-2-one
Systematic Name
3-Methyl-3E-decen-2-one
Synonyms
LM ID
LMFA12000023
Formula
C11H20O
Exact Mass
Calculate m/z
168.151415
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
FKAXTVXZKQJKBJ-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C11H20O/c1-4-5-6-7-8-9-10(2)11(3)12/h9H,4-8H2,1-3H3/b10-9+
SMILES (Click to copy)
CC(=O)/C(/C)=C/CCCCCC

Other Databases

PubChem CID
5363306

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 202.37
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.49
Molar Refractivity 53.20

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Created at
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Updated at
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