Structure Database (LMSD)

Common Name
Alloocimene
Systematic Name
2,6-Dimethyl-2,4E,6E-octatriene
Synonyms
LM ID
LMFA11000042
Formula
C10H16
Exact Mass
Calculate m/z
136.1252
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]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Olfactory sensitivity of two sympatric species of rice leaf folders (Lepidoptera: Pyralidae) to plant volatiles.,
J Chem Ecol, 1990
Pubmed ID: 24264320
Curcuma amada (#105371)
Magnoliopsida (#3398)
Volatile terpenoid compositions of leaf and rhizome of Curcuma amada Roxb. from Northern India,
J Essen Oil Res, 2013

String Representations

InChiKey (Click to copy)
GQVMHMFBVWSSPF-SOYUKNQTSA-N
InChi (Click to copy)
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+
SMILES (Click to copy)
C/C(/C)=C/C=C/C(/C)=C/C

Other Databases

CHEBI ID
141222
PubChem CID
5368821

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 173.64
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.48
Molar Refractivity 48.00

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Created at
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Updated at
11th Jun 2025