Structure Database (LMSD)

Common Name
5-oxo-7-decynoic acid
Systematic Name
5-oxo-7-decynoic acid
Synonyms
  • 7-Decynoic acid, 5-oxo-
LM ID
LMFA01030579
Formula
C10H14O3
Exact Mass
Calculate m/z
182.094295
Sum Composition
FA 10:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
JYHUNGZMKMRIAT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h2,5-8H2,1H3,(H,12,13)
SMILES (Click to copy)
C(CCCC(=O)CC#CCC)(=O)O

Other Databases

CHEBI ID
165476
PubChem CID
5312701

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 197.37
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 1.61
Molar Refractivity 49.18

Admin

Created at
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Updated at
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