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
-2.4233 0.2298 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3965 -0.8630 -0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 -0.4048 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3887 -0.3345 1.3865 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8094 -0.0558 -0.8117 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0882 0.3822 -0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8386 0.5830 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4030 -0.2095 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4870 0.5423 1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1478 1.0588 -0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6722 -1.7154 0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4893 -1.1654 -1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5615 0.6035 -1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8492 0.9397 0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5028 0.4092 1.3074 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