Monomers
Ethyl 3-oxopent-4-enoate
Identifiers
IUPAC name
ethyl 3-oxopent-4-enoate
InchI
InChI=1S/C7H10O3/c1-3-6(8)5-7(9)10-4-2/h3H,1,4-5H2,2H3
InchI Key
IEZWUJDDYLWKEP-UHFFFAOYSA-N
SMILES
CCOC(=O)CC(=O)C=C
Canonical SMILES
CCOC(=O)CC(=O)C=C
Isomeric SMILES
CCOC(=O)CC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H10O3
Heavy Atom Count
10
Molecular Weight
142.154
Exact Molecular Weight
142.063
Valence Electrons
56
Radical Electrons
0
tPSA
43.37
MolLogP
0.6947
H Bond Acceptors
3
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
20 19 0 0 0 0 0 0 0 0999 V2000
-3.4191 1.2675 0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7409 0.1596 -0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4616 -0.0227 0.2131 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5396 -0.9340 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8218 -1.6938 -1.1659 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7777 -0.9974 0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8338 -0.2914 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5681 0.2760 -1.3576 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1764 -0.2621 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1355 0.3634 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4982 1.0597 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2425 2.2334 -0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9619 1.3269 1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3428 -0.7849 -0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7543 0.3686 -1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0561 -2.0688 0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7126 -0.4916 1.4599 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4001 -0.7596 1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9945 0.8821 -1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1280 0.3691 0.0071 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 1 0
7 8 2 0
7 9 1 0
9 10 2 3
1 11 1 0
1 12 1 0
1 13 1 0
2 14 1 0
2 15 1 0
6 16 1 0
6 17 1 0
9 18 1 0
10 19 1 0
10 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers