Structure Database (LMSD)

Common Name
7-Ethyl-4-heptadecen-6-one
Systematic Name
7-Ethyl-4-heptadecen-6-one
Synonyms
LM ID
LMFA12000269
Formula
C19H36O
Exact Mass
Calculate m/z
280.276615
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)
MQNYJGKKAZCXOA-SAPNQHFASA-N
InChi (Click to copy)
InChI=1S/C19H36O/c1-4-7-9-10-11-12-13-15-16-18(6-3)19(20)17-14-8-5-2/h14,17-18H,4-13,15-16H2,1-3H3/b17-14+
SMILES (Click to copy)
CCC/C=C/C(=O)C(CC)CCCCCCCCCC

Other Databases

PubChem CID
11666320

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 340.77
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.47
Molar Refractivity 90.06

Admin

Created at
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Updated at
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