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
3.1488 1.0072 -0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5637 -0.4071 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1688 -0.2605 0.0118 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3477 -1.3779 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9296 -2.4924 0.1008 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1132 -1.2682 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6895 -0.0812 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1260 0.0563 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6799 1.2406 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 1.1287 0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3838 1.7727 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5471 1.2389 -1.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9492 -0.9224 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9615 -0.9324 -0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6984 -2.1735 0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0848 0.8110 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7435 -0.8201 0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0536 2.1309 -0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7651 1.3495 -0.0605 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