Structure database (LMSD)

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LM IDLMFA05000017
Common Name2,2,9,9-tetramethyl-undecan-1,10-diol
Systematic Name2,2,9,9-tetramethyl-undecan-1,10-diol
Synonyms2,2,9,9-tetramethyl-decan-1,10-diol
Exact Mass
230.2246 (neutral)    Calculate m/z:
FormulaC14H30O2
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID5283271
InChIKeyBEMQUKMAAXMMPR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H30O2/c1-13(2,12-15)10-8-6-5-7-9-11-14(3,4)16/h15-16H,5-12H2,1-4H3
SMILESC(C)(C)(O)CCCCCCCC(C)(C)CO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
268.34Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.08Molar
Refractivity
70.49