Structure Database (LMSD)

Common Name
2,6-Dimethyl-5-heptenal
Systematic Name
2,6-Dimethyl-5-heptenal
Synonyms
  • Melonal
  • Bergamal
LM ID
LMFA06000127
Formula
C9H16O
Exact Mass
Calculate m/z
140.120115
Sum Composition
FAL 9:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Zingiber officinale (#94328)
Magnoliopsida (#3398)
Influence of peeling on volatile and non-volatile compounds responsible for aroma, sensory, and nutrition in ginger (Zingiber officinale).,
Food Chem, 2023
Pubmed ID: 37003052

String Representations

InChiKey (Click to copy)
YGFGZTXGYTUXBA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3
SMILES (Click to copy)
C(C(C)CC/C=C(\C)/C)(=O)[H]

Other Databases

HMDB ID
HMDB0031834
PubChem CID
61016

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 167.77
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.57
Molar Refractivity 43.89

Admin

Created at
-
Updated at
29th May 2025