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
-2.4582 -0.0268 0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4155 0.0567 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0926 -0.0100 0.1607 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9715 0.0581 -0.7391 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7293 0.1728 -1.9654 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3458 -0.0018 -0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6353 -0.1216 0.9997 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9396 -1.0436 0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2831 0.6945 0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0790 0.2429 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5095 1.0292 -0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5331 -0.7621 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1335 0.0548 -1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6493 -0.1660 1.3436 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8460 -0.1771 1.7221 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