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
3.8193 0.0182 -0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5328 0.6380 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4518 -0.0414 -0.5419 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1334 0.2397 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1298 1.1602 0.5081 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9034 -0.5852 -0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2578 -0.1952 -0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0189 0.3825 -1.3290 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7212 -0.4745 0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9201 -0.1406 1.2393 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1412 -0.8615 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5820 -0.2818 -1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5883 0.8219 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5182 1.6887 -0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5458 0.6098 1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7810 -0.3437 -2.0552 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7215 -1.6641 -0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0484 -0.9719 1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5831 0.3575 0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2277 -0.3565 2.2408 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