Structure Database (LMSD)
Common Name
all-trans-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid
Systematic Name
(2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid
Synonyms
3D model of all-trans-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
CMIWOGJRXHRRFL-CQWJRODPSA-N
InChi (Click to copy)
InChI=1S/C16H24O3/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19/h6-12,14-15,17H,2-5,13H2,1H3,(H,18,19)/b7-6+,10-8+,12-9+,14-11+
SMILES (Click to copy)
C(=O)(O)/C=C/C=C/CC(O)/C=C/C=C/CCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
298.53
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
3.91
Molar Refractivity
79.47
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Created at
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Updated at
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