Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000124
Common Name2E-Octen-1-ol
Systematic Name2E-Octen-1-ol
Synonyms-
Exact Mass
128.1201 (neutral)    Calculate m/z:
FormulaC8H16O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
AbbrevFOH 8:1
PubChem CID5318599
CHEBI ID142616
InChIKeyAYQPVPFZWIQERS-VOTSOKGWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+
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SMILES
OC/C=C/CCCCC
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MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
153.11Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP2.40Molar
Refractivity
40.86