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
-3.0062 1.5730 0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9710 0.0994 0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8039 -0.3360 -0.3236 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5402 -0.1662 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4255 0.4063 1.2971 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6596 -0.6202 -0.5072 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8677 -0.4644 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0272 -0.9346 -0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2582 -0.8004 -0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5209 1.8265 1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9805 1.9896 0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6019 2.0482 -0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8405 -0.1928 -0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0694 -0.4293 1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5378 -1.1111 -1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0186 0.0186 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8811 -1.4221 -1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4273 -0.3191 0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0824 -1.1653 -0.9031 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