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
-2.3201 -0.0784 0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5429 0.3692 -0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0794 0.0736 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2864 -0.4888 0.7612 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7959 0.3976 -1.2553 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1414 0.1703 -1.2418 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8613 -0.3953 -0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6887 0.0895 1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2224 0.5508 0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6843 -1.1338 0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7183 1.4299 -0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8991 -0.2438 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6930 0.5248 -2.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9252 -0.5038 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4521 -0.7620 0.5907 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