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
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
-2.1506 0.4040 0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4941 0.5718 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1230 0.8034 -0.7992 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6686 -0.1605 -0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0945 -1.1975 0.2487 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1027 0.0141 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7929 -0.9180 0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9653 1.1538 0.6004 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6050 -0.6002 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4032 0.5199 1.2596 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7065 -0.3131 -1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9777 1.4339 -1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6023 0.8961 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8534 -0.8083 0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3111 -1.7993 0.9335 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