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
-2.1693 0.5985 0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7122 -0.8431 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3916 -0.8243 -0.4491 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6553 -0.2023 0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4911 0.4021 1.2374 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9751 -0.2242 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9840 0.3896 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7132 1.1981 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2749 0.6802 0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7636 1.0064 1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3335 -1.4424 -0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6942 -1.2550 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1264 -0.7473 -1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9746 0.3521 -0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8460 0.9116 1.1123 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