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
2.1430 -0.3756 -0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4351 -0.2106 0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0474 -0.2756 0.6274 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6354 0.6307 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0701 1.5017 -0.7606 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0787 0.5963 -0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7840 -0.3095 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5262 -0.8800 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0473 -1.0122 -0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4085 0.6476 -0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7546 -1.0208 1.4343 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7700 0.7439 1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5397 1.3321 -0.9398 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8522 -0.3319 0.2054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3120 -1.0361 0.9406 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