Structure Database (LMSD)

Common Name
3-Methyl-3-butenyl tetradecanoate
Systematic Name
3-Methyl-3-butenyl tetradecanoate
Synonyms
  • WE(4:1(3)(3Me)/14:0)
LM ID
LMFA07010582
Formula
C19H38O2
Exact Mass
Calculate m/z
298.287181
Sum Composition
WE 19:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Philanthus crabroniformis (#926293)
Insecta (#50557)
Mandibular gland secretions of the male beewolves Philanthus crabroniformis, P. barbatus, and P. pulcher (Hymenoptera: Sphecidae).,
J Chem Ecol, 1992
Pubmed ID: 24254630

String Representations

InChiKey (Click to copy)
AISCBZKHUSXEOC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(20)21-17-16-18(2)3/h18H,4-17H2,1-3H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCC)OCCC(C)C

Other Databases

CHEBI ID
179621
PubChem CID
95950

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 352.20
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.56
Molar Refractivity 91.98

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Created at
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Updated at
8th Apr 2025