Structure Database (LMSD)

Common Name
Undecyl acetate
Systematic Name
Undecyl acetate
Synonyms
LM ID
LMFA07010220
Status
Active
Exact Mass
Calculate m/z
214.19328
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
CKQGCFFDQIFZFA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3-12H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCCC

References

Comments
Pherobase

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 248.40
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.37
Molar Refractivity 64.35

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Created at
-
Updated at
6th Jun 2022