Structure Database (LMSD)
Common Name
(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol
Systematic Name
7-methyl-3-methylideneoctane-1,2,6,7-tetrol
Synonyms
LM ID
LMFA05000554
Formula
Exact Mass
Calculate m/z
204.13616
Sum Composition
Status
Curated
3D model of (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
GGDOZDCNLKHEMH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h8-9,11-14H,1,4-6H2,2-3H3
SMILES (Click to copy)
CC(O)(C)C(O)CCC(=C)C(O)CO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
214.08
Topological Polar Surface Area
80.92
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
logP
0.95
Molar Refractivity
55.80
Admin
Created at
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Updated at
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