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
-2.2398 -0.3632 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6550 0.2187 -0.8543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3693 0.7724 -0.6747 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7235 0.0562 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5625 -1.1656 0.0058 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0470 0.6388 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0686 -0.0859 0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4756 -0.7826 1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9974 -1.1341 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8476 0.4409 0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3059 1.0658 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6833 -0.5533 -1.6487 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2359 1.6836 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0585 0.3485 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8778 -1.1401 0.5578 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