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
-3.2780 0.0629 -0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4545 0.3584 0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0697 0.2485 0.3832 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5009 -0.9599 -0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2558 -1.9257 -0.2125 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9318 -1.0132 -0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7011 0.0327 -0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1332 -0.0161 -0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9256 1.0280 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8284 -0.8865 -0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6077 0.0169 -1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9785 0.9187 -0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6167 1.4075 1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7754 -0.3022 1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3353 -1.9526 -0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2982 0.9763 0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5874 -0.9532 -0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4675 1.9612 0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9854 0.9983 -0.4172 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