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
-2.1813 -0.1329 -0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2903 1.0728 -0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1393 0.7230 -0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0177 1.6068 -0.5382 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5367 -0.5617 -0.1339 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8561 -0.9180 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3909 -0.8626 1.2627 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2179 0.1863 -0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8810 -0.9323 -1.2055 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9665 -0.5450 0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6005 1.8353 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4402 1.4470 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4287 -1.2406 -0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7980 -0.5390 2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4103 -1.1390 1.4114 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