Structure database (LMSD)

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LM IDLMFA05000474
Common Name4-Methyl-4E-hepten-3-ol
Systematic Name4-Methyl-4E-hepten-3-ol
Synonyms-
Exact Mass
128.1201 (neutral)    Calculate m/z:
FormulaC8H16O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
AbbrevFOH 8:1
PubChem CID5368945
InChIKeyCVBRKUMLJLIZGY-VOTSOKGWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h6,8-9H,4-5H2,1-3H3/b7-6+
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SMILES
CCC(O)/C(/C)=C/CC
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StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
153.11Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP2.40Molar
Refractivity
40.86