Structure Database (LMSD)

Common Name
7-Ethyl-4-pentadecen-6-one
Systematic Name
7-Ethyl-4-pentadecen-6-one
Synonyms
LM ID
LMFA12000266
Formula
C17H32O
Exact Mass
Calculate m/z
252.245316
Status
Curated
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)
ROXUSSUCJYSSDP-NTCAYCPXSA-N
InChi (Click to copy)
InChI=1S/C17H32O/c1-4-7-9-10-11-13-14-16(6-3)17(18)15-12-8-5-2/h12,15-16H,4-11,13-14H2,1-3H3/b15-12+
SMILES (Click to copy)
CCC/C=C/C(=O)C(CC)CCCCCCCC

Other Databases

PubChem CID
11673267

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 306.17
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.69
Molar Refractivity 80.83

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Created at
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Updated at
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