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
-2.2074 -0.2727 0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4965 0.8951 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0370 0.6658 -0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7731 1.4813 -0.8400 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4550 -0.5114 0.1489 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7471 -0.9398 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8236 -0.3293 -0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7504 -0.5380 1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0779 -1.1358 -0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2697 -0.0135 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8707 0.9968 -1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6477 1.8155 0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8731 -1.9357 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8744 0.6323 -0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8108 -0.8107 -0.1115 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