Structure Database (LMSD)

Common Name
Ethyl (E)-2-octenoate
Systematic Name
ethyl (2Z)-oct-2-enoate
Synonyms
LM ID
LMFA07010848
Formula
Exact Mass
Calculate m/z
170.13068
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
AISZSTYLOVXFII-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8-
SMILES (Click to copy)
O=C(OCC)/C=C\CCCCC

Other Databases

HMDB ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 193.86
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.97
Molar Refractivity 50.41

Admin

Created at
-
Updated at
6th Jun 2022