Structure Database (LMSD)

Common Name
Enanthaldehyde
Systematic Name
heptanal
Synonyms
LM ID
LMFA06000001
Formula
Exact Mass
Calculate m/z
114.104465
Sum Composition
Status
Active


Classification

String Representations

InChiKey (Click to copy)
FXHGMKSSBGDXIY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
SMILES (Click to copy)
C([H])(CCCCCC)=O

Other Databases

KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DLD0018
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 135.81
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.16
Molar Refractivity 34.82

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Created at
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Updated at
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