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
-2.4124 0.2188 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3661 -0.8747 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1037 -0.2509 -0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1696 -0.2049 -1.8230 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7392 0.2639 0.3378 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9325 0.8448 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0256 0.0790 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1045 0.7873 0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3622 -0.2897 0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4305 0.9316 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7300 -1.6469 -0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2409 -1.3424 0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9491 1.8859 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9854 -0.9522 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9486 0.5505 -0.3805 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