Structure Database (LMSD)

Common Name
3S,7S-dimethyl-2S-tridecanol
Systematic Name
3S,7S-dimethyl-2S-tridecanol
Synonyms
  • 3S,7S-dimethyl-tridecan-2S-ol
LM ID
LMFA05000036
Formula
C15H32O
Exact Mass
Calculate m/z
228.245315
Sum Composition
FOH 15:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
GSOHTXXXDWFCAJ-KKUMJFAQSA-N
InChi (Click to copy)
InChI=1S/C15H32O/c1-5-6-7-8-10-13(2)11-9-12-14(3)15(4)16/h13-16H,5-12H2,1-4H3/t13-,14-,15-/m0/s1
SMILES (Click to copy)
C(CC)CCC[C@H](C)CCC[C@H](C)[C@@H](O)C

References

Other Databases

CHEBI ID
187056
PubChem CID
5283288

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 276.85
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.07
Molar Refractivity 73.13

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Created at
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Updated at
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