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
2.5133 -0.5424 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3809 0.4119 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1618 -0.2328 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1219 -1.4572 -0.4610 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9589 0.5311 -0.4250 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1480 0.0726 -0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0726 -0.3591 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4760 -0.1549 0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6553 -0.7103 1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3159 -1.5473 0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1485 0.9339 1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6804 1.1879 -0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3664 0.0492 -1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0370 -0.7364 -0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8711 -0.3421 0.9715 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