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
-3.2061 0.3649 -0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8580 -0.8087 0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5155 -1.1589 0.0724 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -0.2229 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8186 0.9334 0.7161 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8521 -0.5903 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8245 0.2944 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2077 -0.0973 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1934 0.7603 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4230 0.4787 -1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1956 0.2083 -1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3137 1.2550 -0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4736 -1.7035 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0508 -0.5644 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0746 -1.5918 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5641 1.2704 0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4439 -1.0799 -0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2225 0.4824 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0064 1.7699 0.7218 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