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
-2.8130 0.1034 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4614 -0.1059 0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4007 0.1272 -0.3815 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8888 -0.0419 0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0562 -0.3894 1.2823 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0670 0.1658 -0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2790 -0.0050 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4612 -0.7587 0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8047 0.1864 -1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2896 1.0298 0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3135 -1.1619 0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2873 0.5337 1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9378 0.4625 -1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4841 -0.3027 0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1184 0.1567 -0.8946 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