Structure Database (LMSD)

Common Name
7Z-Dodecenal
Systematic Name
7Z-Dodecenal
Synonyms
LM ID
LMFA06000162
Status
Active
Exact Mass
Calculate m/z
182.167065
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)
HTUHYXDEKCWDCI-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,12H,2-4,7-11H2,1H3/b6-5-
SMILES (Click to copy)
C(CCCCC/C=C\CCCC)(=O)[H]

References

Comments
Pherobase

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 219.67
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.88
Molar Refractivity 57.81

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Created at
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Updated at
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