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
-3.8289 -0.0129 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4809 -0.6670 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4902 0.3211 0.1636 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1200 0.0304 0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1403 -1.1114 -0.3791 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8491 1.0392 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1443 0.9241 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8195 -0.2602 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1766 -0.2722 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5657 -0.8404 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7450 0.5182 1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0664 0.7364 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3294 -1.5183 0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3928 -0.9841 -1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4109 2.0015 0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7470 1.7929 0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3312 -1.1748 -0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6888 -1.1426 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7116 0.6202 0.1318 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