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
2.8003 0.0242 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4343 -0.5508 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3988 0.3452 0.1341 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9026 -0.0859 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1272 -1.2356 -0.4979 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 0.7638 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2870 0.3890 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2117 0.5696 -0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4937 -0.8342 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8262 0.6807 0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3216 -1.4558 0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3194 -0.7761 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8473 1.7444 0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4766 -0.6005 -0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1241 1.0220 0.3440 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