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
-3.2915 -0.6207 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3437 -1.7310 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0772 -1.5883 -0.0123 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2808 -0.4563 -0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7795 0.3950 -1.0117 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.3003 0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7004 0.8034 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0203 1.0056 0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6912 2.0914 0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2873 -1.0226 0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5176 0.0217 -1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9186 0.0306 0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7777 -2.6789 -0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3043 -1.8145 -1.7132 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4358 -1.0275 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3182 1.5670 -0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4424 0.2538 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2803 2.8355 -0.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6614 2.2360 0.8840 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