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
-2.1793 -0.2124 0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5541 1.0367 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3273 0.6877 -0.7629 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6538 0.1255 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4327 -0.0562 1.2557 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9604 -0.2795 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8810 -0.8118 0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2844 -0.1873 0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8932 -0.2734 1.5254 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8212 -1.1391 -0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2548 1.5277 -0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3459 1.7917 0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1914 -0.1413 -1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8264 -1.0899 -0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7146 -0.9783 1.3512 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