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
-2.2374 0.6967 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6201 -0.6316 0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1510 -0.5759 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3082 -1.3293 -1.1308 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7075 0.2738 0.3707 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0395 0.4634 0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8635 -0.1794 -0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9130 1.4514 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 1.0123 -1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3242 0.6545 -0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7622 -0.8352 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0610 -1.4586 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4495 1.2925 0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9037 0.1332 -0.6039 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5030 -0.9677 -1.2303 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