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
-2.5121 -0.4553 -1.1303 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4022 0.4769 -0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3277 -0.2880 -0.1985 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8339 0.3073 0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8884 1.5435 0.2449 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9158 -0.5371 0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0462 -0.0263 1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5152 -0.0207 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4426 -1.3891 -0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3858 -0.6851 -2.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1105 1.1496 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8421 1.1367 0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8086 -1.6081 0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8385 -0.6460 1.6089 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2068 1.0417 1.2637 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