Structure Database (LMSD)

O O
Common Name
1-Hexenyl acetate
Systematic Name
1-Hexenyl acetate
Synonyms
LM ID
LMFA07010182
Formula
C8H14O2
Exact Mass
Calculate m/z
142.09938
Sum Composition
SFE 8:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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]

String Representations

InChiKey (Click to copy)
YDZCHDQXPLJVBG-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
SMILES (Click to copy)
O(C(=O)C)/C=C/CCCC

References

Comments
Pherobase

Other Databases

CHEBI ID
180299
PubChem CID
6438320

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 159.26
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.25
Molar Refractivity 40.43

Admin

Created at
-
Updated at
6th Jun 2022