Structure Database (LMSD)

Common Name
WE 4:0(2Me)/6:0
Systematic Name
2-Methylbutyl hexanoate
Synonyms
  • WE(4:0(2Me)/6:0)
LM ID
LMFA07010571
Formula
Exact Mass
Calculate m/z
186.16198
Sum Composition
Status
Curated


Classification

Biological Context

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Coreidae (#186376)
Insecta (#50557)
Identification of sex pheromone produced by female sweetpotato weevil,Cylas formicarius elegantulus (Summers).,
J Chem Ecol, 1986
Pubmed ID: 24307127

String Representations

InChiKey (Click to copy)
ZWMQVDONBUJJLL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-4-6-7-8-11(12)13-9-10(3)5-2/h10H,4-9H2,1-3H3
SMILES (Click to copy)
O=C(CCCCC)OCC(C)CC

Other Databases

HMDB ID
CHEBI ID
PubChem CID
NP-MRD ID(NMR)

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 213.80
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.44
Molar Refractivity 55.05

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Created at
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Updated at
20th Jan 2025