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
-2.4743 0.5266 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3784 -0.4434 -0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1009 0.0497 0.1383 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9922 -0.7463 -0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8268 -1.8530 -0.7391 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3468 -0.3330 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5585 0.8296 0.7614 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2921 0.9801 1.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5504 1.3426 -0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4495 -0.0255 0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4302 -0.6008 -1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5178 -1.4338 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1931 -0.9479 -0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5452 1.1796 1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7310 1.4757 1.0150 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