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
2.5205 0.3245 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3684 -0.3201 -0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0751 0.2437 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1042 1.1286 0.6656 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1439 -0.1572 -0.7179 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2928 0.4476 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9413 -0.0276 0.8406 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4031 -0.3590 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2185 0.5931 1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7942 1.2865 -0.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5140 -0.0691 -1.7647 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4066 -1.4287 -0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6911 1.3575 -0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5234 -0.9342 1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8122 0.4546 1.2069 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