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
-2.7106 0.4308 0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5227 -0.4950 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3682 0.2992 0.2669 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8783 -0.2801 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9403 -1.4953 -0.1379 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0629 0.5513 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2737 0.0566 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6201 -0.1578 0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6280 0.7556 1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6595 1.2957 -0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4692 -1.1990 1.0818 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6456 -1.0544 -0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9870 1.6227 0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1453 0.6869 0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3363 -1.0171 -0.2199 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