Structure Database (LMSD)
Common Name
1-dimethylarsinoyl-decane
Systematic Name
1-dimethylarsinoyl-decane
Synonyms
LM ID
LMFA11000719
Formula
C12H27OAs
Exact Mass
Calculate m/z
262.127786
Status
Curated
3D model of 1-dimethylarsinoyl-decane
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Reference
Arsenolipids in marine oils and fats: A review of occurrence, chemistry and future research needs. Veronika Sele, Jens J. Sloth, Anne-Katrine Lundebye, Erik H. Larsen, Marc H. G. Berntssen, Heidi Amlund. Food Chemistry. Volume 133, Issue 3, 1 August 2012, Pages 618-630. DOI: /10.1016/j.foodchem.2012.02.004
https://www.sciencedirect.com/science/article/pii/S0308814612001677?via%3Dihub
https://www.sciencedirect.com/science/article/pii/S0308814612001677?via%3Dihub
String Representations
InChiKey (Click to copy)
XBMIKXCQVQNAIN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H27AsO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3
SMILES (Click to copy)
C(CCCCCCCCC)[As](C)(=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
246.87
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
4.76
Molar Refractivity
65.59
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Created at
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Updated at
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