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
-1.9486 -0.4383 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0166 -1.4433 0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2117 -0.9220 -0.8692 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6494 0.1267 -0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6621 0.5601 0.5959 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4964 0.6963 -1.6087 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3011 1.6908 -1.3029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6747 0.6085 0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9696 -0.6498 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0607 -0.5702 1.8809 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5658 -2.3255 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3957 -1.8550 0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4617 0.3015 -2.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9603 2.1605 -2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3125 2.0598 -0.2984 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