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
-0.3273 2.2030 2.1598 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5694 1.7026 1.5135 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4776 0.3800 1.0441 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5424 -0.0133 0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2108 0.8592 -0.3409 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5226 -1.3972 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2507 -1.9701 -1.2036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2862 -1.2824 -1.9380 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0514 -1.9424 -2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5887 2.7910 3.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3704 1.4015 2.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1732 2.9086 1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9106 2.4165 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4014 1.7007 2.2772 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2706 -2.0977 0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1249 -3.0385 -1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4520 -0.2454 -1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8905 -2.9853 -2.9814 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8006 -1.3908 -3.3377 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