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
-2.1117 -0.0495 0.9392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6059 0.4920 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1357 0.3064 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4158 0.7103 -1.5636 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6268 -0.2760 0.4356 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9691 -0.5213 0.4714 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8508 -0.2413 -0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2286 -1.1684 0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4292 0.1963 1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1415 0.3586 1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1198 -0.0899 -1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8863 1.5604 -0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3170 -1.0210 1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8854 -0.4937 -0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5941 0.2370 -1.3479 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