Monomers
Ethyl acrylate
Identifiers
IUPAC name
ethyl prop-2-enoate
InchI
InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3
InchI Key
JIGUQPWFLRLWPJ-UHFFFAOYSA-N
SMILES
CCOC(=O)C=C
Canonical SMILES
CCOC(=O)C=C
Isomeric SMILES
CCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
0.7355
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
15 14 0 0 0 0 0 0 0 0999 V2000
-2.1425 0.6884 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7518 -0.7324 -0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4268 -0.7129 -0.7471 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6480 -0.2577 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4340 0.1553 1.1520 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0127 -0.2236 -0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0233 0.2166 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6452 0.7285 1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2591 1.3565 0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8388 1.0702 -0.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7759 -1.3700 0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4199 -1.1770 -0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2101 -0.5746 -1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8884 0.5873 1.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0436 0.2454 -0.1293 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
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
6 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers