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
2.5186 0.5343 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3378 -0.2628 0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1692 -0.1321 -0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2332 0.5706 -1.1216 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9997 -0.7804 0.1869 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1413 -0.7356 -0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0205 0.2097 -0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3074 1.6228 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7328 0.2172 -0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3711 0.2898 1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6408 -1.3427 0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0247 -0.0207 1.8689 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3658 -1.4191 -1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8606 0.9237 0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9477 0.3254 -0.8966 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