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
-2.5151 -0.3311 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3244 -0.4719 0.8041 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0832 0.0395 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0268 1.3100 0.0931 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9251 -0.7726 -0.3117 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0193 -0.1580 -0.8734 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0341 0.1464 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3215 0.5088 -0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4020 -0.1467 0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6289 -1.2558 -0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5114 0.1946 1.6895 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2236 -1.5123 1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0396 0.0646 -1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0232 -0.0758 0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9420 0.6336 -0.4826 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