Structure Database (LMSD)

Common Name
5,6-methylenetetradecanoic acid
Systematic Name
5,6-methylenetetradecanoic acid
Synonyms
  • Cyclopropanebutanoic acid, 2-​octyl-​
LM ID
LMFA01140043
Status
Active
Exact Mass
Calculate m/z
240.20893
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HGTLIMXCUHOIQJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-9-13-12-14(13)10-8-11-15(16)17/h13-14H,2-12H2,1H3,(H,16,17)
SMILES (Click to copy)
C(CCCC1CC1CCCCCCCC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 270.64
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.63
Molar Refractivity 71.08

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Created at
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Updated at
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