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
2.5057 0.3016 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2537 -0.4514 -0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1495 -0.1553 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3491 0.6544 0.9570 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0873 -0.7445 -0.0917 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1463 -0.4919 0.7657 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0014 0.4846 0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1871 -0.3850 -0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3288 1.2267 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0590 0.6031 -1.5136 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9772 -0.2261 -1.9565 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4557 -1.5578 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3033 -1.0771 1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8946 1.1132 -0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8328 0.7053 1.1560 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