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
-2.6648 -0.2316 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3289 -0.9052 -0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2451 0.1227 -0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5075 1.3293 -0.5846 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 -0.2274 -0.3771 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0541 0.7480 -0.5695 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3099 0.3388 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5416 0.7230 -0.8041 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3643 -0.9103 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0164 -0.0808 0.7847 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1646 -1.3885 0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2502 -1.6684 -0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8654 1.7954 -0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1472 1.0407 -0.6844 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6160 -0.6856 -0.3812 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