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
2.2332 -0.4272 0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6185 0.5099 -0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2797 0.1997 -0.9663 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6966 0.2033 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3803 0.4988 1.1708 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0517 -0.1308 -0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9766 -0.1246 0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9657 -1.4671 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8226 -0.2744 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3293 -0.2695 0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7550 1.5760 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1840 0.3441 -1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3109 -0.3836 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9904 -0.3749 0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7816 0.1201 1.6188 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