Structure Database (LMSD)

Common Name
2-heptenedial
Systematic Name
2-heptenedial
Synonyms
LM ID
LMFA06000027
Formula
C7H10O2
Exact Mass
Calculate m/z
126.06808
Sum Composition
FAL 7:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

String Representations

InChiKey (Click to copy)
UINBCLLBJYJCNK-DUXPYHPUSA-N
InChi (Click to copy)
InChI=1S/C7H10O2/c8-6-4-2-1-3-5-7-9/h2,4,6-7H,1,3,5H2/b4-2+
SMILES (Click to copy)
C(=O)([H])CCC/C=C/C([H])=O

Other Databases

CHEBI ID
176861
PubChem CID
5283323

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 139.32
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.11
Molar Refractivity 35.12

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Created at
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Updated at
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