Structure Database (LMSD)
Common Name
2,2,9,9-tetramethyl-undecan-1,10-diol
Systematic Name
2,2,9,9-tetramethyl-undecan-1,10-diol
Synonyms
- 2,2,9,9-tetramethyl-decan-1,10-diol
LM ID
LMFA05000017
Formula
Exact Mass
Calculate m/z
230.22458
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2,2,9,9-tetramethyl-undecan-1,10-diol
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)
BEMQUKMAAXMMPR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H30O2/c1-13(2,12-15)10-8-6-5-7-9-11-14(3,4)16/h15-16H,5-12H2,1-4H3
SMILES (Click to copy)
C(C)(C)(O)CCCCCCCC(C)(C)CO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
268.34
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
4.08
Molar Refractivity
70.49
Admin
Created at
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Updated at
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