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
-2.2764 0.3426 0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4945 -0.2803 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0625 0.1038 -0.6945 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2996 1.2423 -1.0825 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8774 -0.7823 -0.2148 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2228 -0.5141 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7124 0.0205 0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6572 1.0834 0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1910 0.8212 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5741 -0.4837 1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6106 -1.3908 -0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9385 0.0884 -1.7168 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8623 -0.7480 -0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0673 0.2552 1.7928 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7630 0.2418 1.0646 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