Structure Database (LMSD)

Common Name
Heptadecan-2-ol
Systematic Name
Heptadecan-2-ol
Synonyms
LM ID
LMFA05000531
Formula
C17H36O
Exact Mass
Calculate m/z
256.276615
Sum Composition
FOH 17:0
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)
ZNYQHFLBAPNPRC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h17-18H,3-16H2,1-2H3
SMILES (Click to copy)
CC(O)CCCCCCCCCCCCCCC

Other Databases

CHEBI ID
197400
PubChem CID
42263

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 311.45
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 6.13
Molar Refractivity 82.50

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Created at
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Updated at
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