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
3.8358 0.1107 0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4526 0.3966 0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4797 -0.1606 -0.3012 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0969 -0.0414 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1603 0.5897 1.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8335 -0.6304 -0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1100 -0.5780 -0.8202 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8167 0.0604 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1630 0.0424 0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5454 0.8627 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8102 0.2900 -1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1598 -0.9334 0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3285 1.5155 0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3223 0.0752 1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4265 -1.1595 -1.8483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7341 -1.0659 -1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3801 0.5848 1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7371 0.5049 1.0711 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6700 -0.4637 -0.5165 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