Structure Database (LMSD)

Common Name
3Z-Decenyl acetate
Systematic Name
3Z-Decenyl acetate
Synonyms
LM ID
LMFA07010206
Status
Active
Exact Mass
Calculate m/z
198.16198
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)
HYSSAOQHKOCKIC-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h8-9H,3-7,10-11H2,1-2H3/b9-8-
SMILES (Click to copy)
O(C(=O)C)CC/C=C\CCCCCC

References

Comments
Pherobase

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 228.46
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.75
Molar Refractivity 59.64

Admin

Created at
-
Updated at
-