Structure Database (LMSD)

Common Name
3Z-Hexen-3-ol
Systematic Name
3Z-Hexen-3-ol
Synonyms
  • (Z)-3-Hexen-3-ol
LM ID
LMFA05000464
Formula
C6H12O
Exact Mass
Calculate m/z
100.088815
Sum Composition
FOH 6:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Momordica charantia (#3673)
Magnoliopsida (#3398)
Volatile components of bittermelon,
J Agric Food Chem, 1989

String Representations

InChiKey (Click to copy)
ZDBZGZFXYIWLTQ-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C6H12O/c1-3-5-6(7)4-2/h5,7H,3-4H2,1-2H3/b6-5-
SMILES (Click to copy)
CC/C(/O)=C/CC

Other Databases

CHEBI ID
137815
PubChem CID
21683846

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 118.51
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.25
Molar Refractivity 31.29

Admin

Created at
-
Updated at
28th Nov 2024