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
-2.5466 -0.1359 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3288 -0.5173 0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1115 0.1660 0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1075 0.9640 -0.6568 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1063 -0.0726 0.9257 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2403 0.5628 0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9696 -0.0031 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4295 -0.5697 0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5395 -0.5340 -0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6355 0.9701 0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -0.2447 1.8832 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1868 -1.6359 0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4956 1.5202 0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7144 -0.9627 -0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8656 0.4927 -0.8578 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