Structure Database (LMSD)

O
Common Name
1,16-Heptadecadien-3-one
Systematic Name
1,16-Heptadecadien-3-one
Synonyms
LM ID
LMFA12000191
Formula
C17H32O
Exact Mass
Calculate m/z
252.245315
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
BJUAHDDPXUJMLE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3H,1,4-16H2,2H3
SMILES (Click to copy)
CCC(=O)CCCCCCCCCCCCC=C

References

Other Databases

CHEBI ID
187565
PubChem CID
19018285

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 306.17
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.83
Molar Refractivity 80.90

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Created at
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Updated at
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