Structure Database (LMSD)

Common Name
Geranyl formate
Systematic Name
(E)-3,7-Dimethyl-2,6-octadienyl formate
Synonyms
  • WE(8:2(2E,6E)(3Me,7Me)/1:0)
LM ID
LMFA07010611
Formula
C11H18O2
Exact Mass
Calculate m/z
182.13068
Sum Composition
SFE 11:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Level 4 Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Acyclic monoterpenoids [PR010201]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dermatophagoides farinae (#6954)
Arachnida (#6854)
Pheromone study on astigmatid mites : XXVI. Comparison of volatile components between Dermatophagoides farinae and D. pteronyssinus (Astigmata, Pyroglyphidae),
Med Entomol Zool, 1990

String Representations

InChiKey (Click to copy)
FQMZVFJYMPNUCT-YRNVUSSQSA-N
InChi (Click to copy)
InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+
SMILES (Click to copy)
O=COC/C=C(\C)/CC/C=C(\C)/C

Other Databases

KEGG ID
C12294
CHEBI ID
31648
PubChem CID
5282109

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 208.52
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.14
Molar Refractivity 54.93

Admin

Created at
-
Updated at
4th Jun 2025