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
-2.4220 0.1913 0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4812 -0.6542 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0759 -0.1196 -0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1127 0.9151 0.5456 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9758 -0.6995 -0.7584 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2913 -0.3429 -0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8488 0.6798 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9271 0.7508 1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9011 0.9307 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2684 -0.4138 1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4892 -1.6759 0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7740 -0.7433 -1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9227 -1.0146 -1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9236 0.8409 -0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2643 1.3553 0.3651 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