Structure Database (LMSD)

HO HO
Common Name
1,11-Triacontanediol
Systematic Name
triacontane-1,11-diol
Synonyms
LM ID
LMFA05000575
Formula
C30H62O2
Exact Mass
Calculate m/z
454.47498
Sum Composition
FOH 30:0;O
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)
FFFLUGIGEZHIBO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30(32)28-25-22-19-16-17-20-23-26-29-31/h30-32H,2-29H2,1H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCO)O

References

Other Databases

HMDB ID
HMDB0030615
PubChem CID
57043798

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 545.14
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 10.46
Molar Refractivity 144.43

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Updated at
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