Structure Database (LMSD)

Common Name
3Z-hexenol
Systematic Name
3Z-hexenol
Synonyms
LM ID
LMFA05000059
Status
Active
Exact Mass
Calculate m/z
100.088815
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
UFLHIIWVXFIJGU-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-
SMILES (Click to copy)
OCC/C=C\CC

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 118.51
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1.62
Molar Refractivity 31.62

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Created at
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Updated at
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