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
-2.1093 0.6158 0.1793 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6096 -0.7431 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1377 -0.8506 -0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5054 -1.8848 -0.3994 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5725 0.2286 0.4056 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9469 0.2174 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7746 0.6052 -0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8060 1.3429 -0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4861 0.8937 1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1745 0.6214 0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8898 -0.9441 -1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1443 -1.5183 0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3030 -0.1238 1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8423 0.5949 -0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4126 0.9449 -1.3175 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