Monomers
Ethyl Penta-2,4-dienoate
Identifiers
IUPAC name
ethyl penta-2,4-dienoate
InchI
InChI=1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3,5-6H,1,4H2,2H3
InchI Key
MOJNQUDSDVIYEO-UHFFFAOYSA-N
SMILES
CCOC(=O)C=CC=C
Canonical SMILES
CCOC(=O)C=CC=C
Isomeric SMILES
CCOC(=O)C=CC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H10O2
Heavy Atom Count
9
Molecular Weight
126.155
Exact Molecular Weight
126.0681
Valence Electrons
50
Radical Electrons
0
tPSA
26.3
MolLogP
1.2917
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
19 18 0 0 0 0 0 0 0 0999 V2000
3.8405 -0.0943 0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5038 0.2414 -0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4397 -0.3005 0.4693 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1074 -0.0855 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0125 0.5997 -0.9619 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0052 -0.6111 0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2470 -0.4546 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7856 0.2751 -0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1220 0.3445 -0.8011 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5355 -0.5164 -0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3807 0.7854 0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7335 -0.8108 1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4195 -0.1086 -1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4294 1.3676 -0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7615 -1.2061 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9890 -0.9323 1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1812 0.7907 -1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7367 -0.1578 -0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5493 0.8737 -1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
7 8 1 0
8 9 2 3
1 10 1 0
1 11 1 0
1 12 1 0
2 13 1 0
2 14 1 0
6 15 1 0
7 16 1 0
8 17 1 0
9 18 1 0
9 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers