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
2.1951 0.3967 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4041 -0.7521 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 -0.4203 0.4547 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7720 -0.0770 -0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -0.0619 -1.7510 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1623 0.2523 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6190 0.2222 0.9231 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0299 0.0082 -0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6912 0.9834 0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5465 1.0999 -0.8897 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8390 -0.9428 1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5581 -1.6592 -0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8607 0.5306 -1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6456 0.4674 1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9615 -0.0474 1.7259 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