Structure Database (LMSD)

Common Name
2E-hexenol
Systematic Name
2E-hexenol
Synonyms
LM ID
LMFA05000060
Formula
C6H12O
Exact Mass
Calculate m/z
100.088815
Sum Composition
FOH 6:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Classification

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

String Representations

InChiKey (Click to copy)
ZCHHRLHTBGRGOT-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+
SMILES (Click to copy)
OC/C=C/CCC

Other Databases

HMDB ID
HMDB0030952
CHEBI ID
141205
PubChem CID
5318042

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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