Structure Database (LMSD)
Common Name
1,11-Triacontanediol
Systematic Name
triacontane-1,11-diol
Synonyms
LM ID
LMFA05000575
Formula
Exact Mass
Calculate m/z
454.47498
Sum Composition
Status
Curated
3D model of 1,11-Triacontanediol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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
Other Databases
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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Created at
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Updated at
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