Structure Database (LMSD)

Common Name
Isopropyl 5Z-tetradecenoate
Systematic Name
Isopropyl 5Z-tetradecenoate
Synonyms
  • WE(2:0(1Me)/14:1(5Z))
LM ID
LMFA07010666
Formula
C17H32O2
Exact Mass
Calculate m/z
268.24023
Sum Composition
SFE 17:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
NPTCEHOFMYJTMW-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h11-12,16H,4-10,13-15H2,1-3H3/b12-11-
SMILES (Click to copy)
O=C(CCC/C=C\CCCCCCCC)OC(C)C

Other Databases

CHEBI ID
196099
PubChem CID
56936035

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 314.96
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.70
Molar Refractivity 82.72

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Created at
-
Updated at
6th Jun 2022