Structure database (LMSD)

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LM IDLMFA05000093
Common Name(R)-oct-1-en-3-ol
Systematic Name(3R)-oct-1-en-3-ol
Synonyms1-OCTEN-3-OL
Exact Mass
128.1201 (neutral)    Calculate m/z:
FormulaC8H16O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
AbbrevFOH 8:1
PubChem CID6992244
CHEBI ID39932
InChIKeyVSMOENVRRABVKN-QMMMGPOBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m0/s1
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SMILES
C([C@@H](CCCCC)O)=C
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StatusActive
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