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
-2.3757 1.5349 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1225 0.1414 1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5963 -0.7368 0.6867 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3685 -0.5268 0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1964 0.5099 0.4004 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2010 -1.4125 -0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3448 -1.2198 -1.4948 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2759 -0.1204 -1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4031 -0.1021 -2.0359 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4805 2.1165 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0563 1.5813 0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9139 2.0708 1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5233 0.2212 2.5538 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1159 -0.2621 1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3520 -2.3213 -1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7049 -1.9859 -2.2405 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0978 0.7033 -0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6004 -0.9128 -2.7092 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0805 0.7212 -1.9057 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