Structure Database (LMSD)

Common Name
6Z-Tridecen-2R-ol
Systematic Name
6Z-Tridecen-2R-ol
Synonyms
  • (R,Z)-Tridec-6-en-2-ol
LM ID
LMFA05000520
Formula
C13H26O
Exact Mass
Calculate m/z
198.198365
Sum Composition
FOH 13:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
YGVBKNKMXWGWPI-LJTDUEICSA-N
InChi (Click to copy)
InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h8-9,13-14H,3-7,10-12H2,1-2H3/b9-8-/t13-/m1/s1
SMILES (Click to copy)
C[C@@H](O)CCC/C=C\CCCCCC

Other Databases

CHEBI ID
186659
PubChem CID
56935892

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 239.61
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.35
Molar Refractivity 63.94

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Created at
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Updated at
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