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
3.3116 0.4779 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8178 -0.9271 -0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5289 -0.9655 -0.7675 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4204 -0.3281 -0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5287 0.3131 0.8373 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8860 -0.3889 -0.9158 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8642 0.4167 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5695 1.6272 0.0484 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1176 -0.0836 0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9470 0.6935 1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3396 0.4352 0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7131 1.0498 0.7411 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3170 0.9413 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8180 -1.4504 0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5161 -1.4680 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2414 -1.4192 -1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7428 0.1153 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3776 -1.1084 0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6917 1.7358 1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8734 0.3336 1.3891 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