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
-2.2629 0.7968 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5707 -0.5091 -0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1322 -0.3484 -0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1839 0.3945 -1.4053 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8800 -0.9617 0.2759 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1913 -0.7687 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8646 0.2360 0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2100 0.8754 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5865 1.6505 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5512 0.8356 1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0467 -0.9491 -1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7533 -1.2093 0.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6876 -1.4292 -0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9026 0.4523 0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4035 0.9344 1.1042 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