Structure Database (LMSD)
Common Name
triacontan-1,14-diol
Systematic Name
triacontan-1,14-diol
Synonyms
LM ID
LMFA05000068
Formula
Exact Mass
Calculate m/z
454.47498
Sum Composition
Status
Curated
3D model of triacontan-1,14-diol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Reference
Netherlands Institute for Sea Research (NIOZ) MBT database
Comments
Submitted by Henry Boumann, Netherlands
String Representations
InChiKey (Click to copy)
DBWJFBCQGPOUKF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H62O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-27-30(32)28-25-22-19-16-13-11-14-17-20-23-26-29-31/h30-32H,2-29H2,1H3
SMILES (Click to copy)
C(O)CCCCCCCCCCCCC(O)CCCCCCCCCCCCCCCC
Other Databases
PubChem CID
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
Admin
Created at
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Updated at
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