Structure Database (LMSD)

Common Name
Isopropyl tetradecanoate
Systematic Name
Isopropyl tetradecanoate
Synonyms
  • WE(2:0(1Me)/14:0)
LM ID
LMFA07010677
Formula
C17H34O2
Exact Mass
Calculate m/z
270.25588
Sum Composition
SFE 17:0
Status
Active
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
AXISYYRBXTVTFY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCC)OC(C)C

Other Databases

HMDB ID
HMDB0040392
CHEBI ID
90027
PubChem CID
8042

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 317.60
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.93
Molar Refractivity 82.82

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Created at
-
Updated at
6th Jun 2022