Structure Database (LMSD)

Common Name
Hydnocarpic acid
Systematic Name
11-(2-cyclopentenyl)-undecanoic acid
Synonyms
  • 2-cyclopentene-1-undecanoic acid
  • 11-(2-cyclopenten-1-yl)undecanoic acid
  • 11-(cyclopent-2-enyl)hendecanoic acid
LM ID
LMFA01140023
Status
Active
Exact Mass
Calculate m/z
252.20893
Formula
Abbrev


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
SRELFLQJDOTNLJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18)
SMILES (Click to copy)
C(CC1C=CCC1)CCCCCCCCC(=O)O

References

Other Databases

CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 285.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.94
Molar Refractivity 75.67

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Created at
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Updated at
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