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
-2.1888 0.7796 0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7605 -0.6582 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4336 -0.8902 0.3899 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6711 -0.2403 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4792 0.6189 -1.0217 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0273 -0.4936 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0461 0.1506 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9206 1.3342 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2674 0.8608 0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5711 1.1745 1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4009 -1.3644 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8198 -0.9051 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2132 -1.2205 1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8738 0.8762 -0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0519 -0.0225 0.1725 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