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
-2.2843 0.5048 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5132 -0.8037 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0627 -0.5929 0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3146 -0.4393 1.6977 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8737 -0.5604 -0.5133 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2075 -0.3629 -0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7287 0.8364 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6476 1.3003 0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5145 0.8765 -0.6521 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2280 0.3916 0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6866 -1.2182 -0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9523 -1.4820 1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8375 -1.2049 -0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7773 1.0046 -0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1498 1.7503 -0.3874 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