Structure Database (LMSD)

Common Name
1,17-Heptadecanediol
Systematic Name
heptadecane-1,17-diol
Synonyms
LM ID
LMFA05000576
Formula
C17H36O2
Exact Mass
Calculate m/z
272.27153
Sum Composition
FOH 17:0;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
WNZVVHVYAKZZBU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H36O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h18-19H,1-17H2
SMILES (Click to copy)
OCCCCCCCCCCCCCCCCCO

Other Databases

HMDB ID
HMDB0040983
CHEBI ID
186629
PubChem CID
15232793

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 320.24
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 5.39
Molar Refractivity 84.41

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Updated at
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