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
-2.7184 0.0025 -0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3744 -0.6439 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2540 0.2745 -0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3751 1.4691 -0.6375 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0260 -0.2331 -0.1684 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1790 0.4773 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3264 -0.1049 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1055 -0.2438 -1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3635 -0.3754 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5985 1.0875 -0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2232 -0.9825 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2561 -1.5381 -0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1190 1.5020 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2317 0.4375 -0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3865 -1.1285 0.0410 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