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
-2.2087 0.3723 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4228 0.4706 0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0344 0.3713 0.5677 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6261 -0.6986 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0677 -1.6762 -0.3433 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0731 -0.7702 -0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8925 0.1857 0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9536 -0.4755 -0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5846 0.1957 -1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8483 1.2820 -0.7009 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8328 -0.2442 1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6120 1.4940 1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5097 -1.6761 -0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9445 0.0793 0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 1.0898 0.6463 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