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
2.5548 -0.1041 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 0.4117 0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1063 -0.1638 0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0936 -0.9644 -0.7250 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1186 0.1627 0.8027 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3146 -0.3548 0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9522 0.2866 -0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3103 0.6944 -0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9780 -1.0220 0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2371 -0.4647 -1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3664 1.5179 0.7027 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5171 0.1708 1.8442 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7289 -1.2724 0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8758 -0.0944 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5641 1.1965 -1.0055 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