Structure Database (LMSD)

OH
Common Name
9-pentadecen-1-ol
Systematic Name
9-pentadecen-1-ol
Synonyms
  • pentadecan-9-en-1-ol
LM ID
LMFA05000050
Formula
C15H30O
Exact Mass
Calculate m/z
226.229665
Sum Composition
FOH 15:1
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)
CMWLZVMFIMYXKI-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h6-7,16H,2-5,8-15H2,1H3/b7-6+
SMILES (Click to copy)
C(/CCCCC)=C\CCCCCCCCO

References

Other Databases

CHEBI ID
165514
PubChem CID
5283299

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 274.21
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.13
Molar Refractivity 73.18

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022