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
-2.4944 0.3893 -0.6594 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4798 -0.1247 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1126 -0.1771 -0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0690 0.1959 -1.4308 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9345 -0.6239 0.5034 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2315 -0.7165 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0608 0.2915 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0553 1.0019 -1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2876 1.0103 -0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0377 -0.5052 -1.0841 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4879 0.5392 1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7616 -1.1383 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5954 -1.6158 -0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7274 1.2125 0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0982 0.2607 -0.0476 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