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
-3.3673 0.0586 0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6863 0.0135 -1.1957 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3822 0.5021 -1.2044 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4056 -0.0740 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7467 -1.0413 0.2983 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9783 0.4072 -0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8647 -0.1803 0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2442 0.2677 0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1105 -0.3313 1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0538 -0.7198 0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4646 -0.1333 -0.0597 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3448 1.0882 0.5723 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2835 0.6559 -1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7781 -1.0168 -1.5972 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3100 1.2393 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5351 -1.0316 0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5429 1.0971 -0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1441 -0.0331 1.2733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7831 -1.1641 1.8076 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