Structure Database (LMSD)

Common Name
SFE 6:2(2E,4E)/2:0
Systematic Name
2E,4E-Hexadienyl acetate
Synonyms
LM ID
LMFA07010180
Formula
Exact Mass
Calculate m/z
140.08373
Sum Composition
Status
Curated


Classification

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Spilostethus (#299280)
Insecta (#50557)
No citation found

String Representations

InChiKey (Click to copy)
PXVKYPFROMBALG-VNKDHWASSA-N
InChi (Click to copy)
InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+
SMILES (Click to copy)
O(C(=O)C)C/C=C/C=C/C

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 156.62
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.97
Molar Refractivity 41.08

Admin

Created at
-
Updated at
14th Feb 2025