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
-2.4966 0.4039 0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3834 -0.5927 -0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1543 -0.3244 0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0123 -0.6743 1.7088 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8776 0.3577 -0.1074 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0538 0.6443 0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0891 -0.1662 0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2733 0.2711 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8581 0.2315 1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0984 1.4450 -0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2018 -0.5247 -1.3459 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7768 -1.6132 -0.0606 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1231 1.5706 1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9901 0.0906 1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0967 -1.1194 0.0460 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