Structure Database (LMSD)
Common Name
7-Methyl-3-methylene-1,6,7-octanetriol
Systematic Name
7-methyl-3-methylideneoctane-1,6,7-triol
Synonyms
LM ID
LMFA05000635
Formula
Exact Mass
Calculate m/z
188.141245
Sum Composition
Status
Active
3D model of 7-Methyl-3-methylene-1,6,7-octanetriol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
FYRNCGDEPAEUMD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O3/c1-8(6-7-11)4-5-9(12)10(2,3)13/h9,11-13H,1,4-7H2,2-3H3
SMILES (Click to copy)
C(C)(O)(C)C(O)CCC(=C)CCO
References
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
205.29
Topological Polar Surface Area
60.69
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
1.69
Molar Refractivity
53.90
Admin
Created at
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Updated at
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