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
-2.3712 -0.0564 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5039 -0.2444 0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0570 -0.2992 0.5846 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4134 -1.3456 0.0919 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7713 0.7583 0.7939 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1133 0.8782 0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8832 -0.0452 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2816 0.5326 0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7071 -1.0258 -0.7362 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8772 0.5111 -1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6827 0.5450 1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8038 -1.2168 1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5566 1.8590 0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5947 -1.0239 -0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9520 0.1730 -0.1284 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