Structure database (LMSD)

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LM IDLMFA06000047
Common Name3,6-nonadienal
Systematic Name3,6-nonadienal
Synonyms-
Exact Mass
138.1045 (neutral)    Calculate m/z:
FormulaC9H14O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
AbbrevFAL 9:2
PubChem CID5283340
InChIKeyFIDBXHOCOXRPRO-FZWLCVONSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3/b4-3+,7-6+
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SMILES
C(/C=C/C/C=C/CC([H])=O)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
165.13Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.49Molar
Refractivity
43.87