Structure database (LMSD)

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LM IDLMFA11000041
Common Name8E-Heneicosene
Systematic Name8E-Heneicosene
Synonyms-
Exact Mass
294.3287 (neutral)    Calculate m/z:
FormulaC21H42
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID22171964
InChIKeyJSEZWBOLDGVZFR-BMRADRMJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h15,17H,3
-14,16,18-21H2,1-2H3/b17-15+
SMILESCCCCCCC/C=C/CCCCCCCCCCCC
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
369.22Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP8.21Molar
Refractivity
98.98