Structure Database (LMSD)

Common Name
Geranic acid
Systematic Name
3,7-Dimethyl-2E,6-octadienoic acid
Synonyms
  • (2E)-3,7-di­methyl­octa-2,6-di­enoic acid
LM ID
LMFA01030784
Status
Active
Exact Mass
Calculate m/z
168.11503
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
ZHYZQXUYZJNEHD-VQHVLOKHSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
SMILES (Click to copy)
C(/C=C(\C)/CC/C=C(\C)/C)(=O)O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 191.22
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.76
Molar Refractivity 50.06

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Created at
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Updated at
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