Structure Database (LMSD)

Common Name
Propyl 2,4-decadienoate
Systematic Name
propyl (2E,4E)-deca-2,4-dienoate
Synonyms
LM ID
LMFA07011001
Status
Active
Exact Mass
Calculate m/z
210.16198
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)
RKDOXCGYGLYOBV-BNFZFUHLSA-N
InChi (Click to copy)
InChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3/b9-8+,11-10+
SMILES (Click to copy)
O(CCC)C(/C=C/C=C/CCCCC)=O

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 243.12
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.92
Molar Refractivity 64.16

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Created at
-
Updated at
6th Jun 2022