Structure Database (LMSD)

Common Name
13Z-Hexadecen-11-yn-1-ol
Systematic Name
13Z-Hexadecen-11-yn-1-ol
Synonyms
LM ID
LMFA05000202
Formula
C16H28O
Exact Mass
Calculate m/z
236.214015
Sum Composition
FOH 16:3
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)
MUVIYYKFZAILBT-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-4,17H,2,7-16H2,1H3/b4-3-
SMILES (Click to copy)
OCCCCCCCCCCC#C/C=C\CC

References

Comments
Pherobase

Other Databases

CHEBI ID
177114
PubChem CID
13175227

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 286.23
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.74
Molar Refractivity 76.34

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022