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
-2.4978 0.0993 -0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3413 -0.8994 -0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0668 -0.1546 -0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2556 0.2693 -1.5170 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7864 0.0964 0.6789 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9372 0.7961 0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0367 0.1692 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3791 -0.4217 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2863 0.9955 -0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6397 0.4270 0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4563 -1.5435 -1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3709 -1.5019 0.6908 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9310 1.8602 0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1214 -0.9044 -0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9700 0.7124 -0.1206 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