Monomers
Vinyl propionate
Identifiers
IUPAC name
ethenyl propanoate
InchI
InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3
InchI Key
UIWXSTHGICQLQT-UHFFFAOYSA-N
SMILES
CCC(=O)OC=C
Canonical SMILES
CCC(=O)OC=C
Isomeric SMILES
CCC(=O)OC=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
1.0831
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
2.2091 0.2105 0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5145 -0.5271 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0466 -0.4734 -0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6040 -1.0765 -1.6005 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6690 0.1894 0.2684 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0519 0.1968 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7841 -0.7098 0.8975 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9859 0.9263 -0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5651 0.7577 0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7987 -0.5412 0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7936 -1.6192 -0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8825 -0.1251 -1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5463 0.9912 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8463 -0.7086 0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2945 -1.5249 1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 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