Structure Database (LMSD)

Common Name
9,10-Methylenehexadecanoic acid
Systematic Name
9,10-Methylenehexadecanoic acid
Synonyms
  • Cyclopropaneoctanoic acid, 2-hexyl-
  • 2-Hexylcyclopropaneoctanoic acid
  • Hexadecanoic acid, 9,10-methylene-
LM ID
LMFA01140050
Status
Active
Exact Mass
Calculate m/z
268.24023
Formula
C17H32O2
Abbrev
FA 17:1
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
MUZYOAHCGSIXJH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-2-3-4-8-11-15-14-16(15)12-9-6-5-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)
SMILES (Click to copy)
C(CCCCCCCC1CC1CCCCCC)(=O)O

References

Other Databases

PubChem CID
160786
PlantFA ID
10776

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 305.24
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.41
Molar Refractivity 80.31

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Updated at
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