Structure database (LMSD)

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LM IDLMFA06000023
Common Name6-heptenal
Systematic Name6-heptenal
Synonyms-
Exact Mass
112.0888 (neutral)    Calculate m/z:
FormulaC7H12O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
AbbrevFAL 7:1
PubChem CID5283320
InChIKeyIOXPXHVBWFDRGS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2,7H,1,3-6H2
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SMILES
C=CCCCCC([H])=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms8Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
133.17Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP1.93Molar
Refractivity
34.73