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
C14H30O2
Exact Mass
Calculate m/z
230.22458
Sum Composition
FOH 14:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

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

CHEBI ID
178470
PubChem CID
5283271

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

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Created at
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Updated at
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