Structure database (LMSD)

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LM IDLMFA06000127
Common Name2,6-Dimethyl-5-heptenal
Systematic Name2,6-Dimethyl-5-heptenal
Synonyms-
Exact Mass
140.1201 (neutral)    Calculate m/z:
FormulaC9H16O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
AbbrevFAL 9:1
PubChem CID61016
HMDB IDHMDB0031834
InChIKeyYGFGZTXGYTUXBA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3
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SMILES
C(C(C)CC/C=C(\C)/C)(=O)[H]
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StatusActive
CommentsPherobase
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
167.77Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.57Molar
Refractivity
43.89