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
-2.6591 -0.2621 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4504 0.5689 0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2180 -0.1567 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2818 -1.2740 -0.5526 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0272 0.4116 0.2519 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1777 -0.2854 -0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3426 0.2734 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1026 0.2115 -0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4002 -0.2734 0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3622 -1.3219 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4283 1.5449 -0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4431 0.8148 1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1317 -1.2374 -0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4316 1.2331 0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2350 -0.2473 -0.2069 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