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
-2.6326 -0.4727 -0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4975 0.4950 -0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1758 -0.1958 -0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0614 -1.4418 -0.1630 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9928 0.5441 -0.2172 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2037 -0.1228 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3072 0.5812 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8181 -0.9318 0.7001 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5552 0.0233 -0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4430 -1.3093 -1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5449 1.1356 -1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5783 1.1247 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2743 -1.2037 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2794 0.1268 -0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2496 1.6472 -0.2031 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