Structure Database (LMSD)

Common Name
2,3-dihydrofarnesal
Systematic Name
3,7,11-Trimethyl-6E,10-dodecadienal
Synonyms
LM ID
LMFA06000168
Formula
C15H26O
Exact Mass
Calculate m/z
222.198365
Sum Composition
FAL 15:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Acyclic farnesane sesquiterpenoids [PR010301]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ascogaster quadridentata (#132717)
Insecta (#50557)
Sex Pheromone of Ascogaster quadridentata, a Parasitoid of Cydia pomonella,
J Chem Ecol, 1999

String Representations

InChiKey (Click to copy)
ITBYWGRSPHMAEE-NTEUORMPSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,12,15H,5-6,8,10-11H2,1-4H3/b14-9+
SMILES (Click to copy)
C(CC(C)CC/C=C(\C)/CC/C=C(\C)/C)(=O)[H]

Other Databases

PubChem CID
6452457

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 268.93
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.68
Molar Refractivity 71.50

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Created at
-
Updated at
13th Dec 2024