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
-2.3658 -0.1027 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3764 0.9263 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1138 0.1743 0.6714 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1729 -0.1726 1.8276 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6948 -0.1162 -0.3929 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8852 -0.8147 -0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0182 -0.1770 -0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8625 -1.0781 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0643 -0.3297 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9154 0.2452 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1688 1.7333 -0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7352 1.3709 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8176 -1.8892 -0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0350 0.8966 -0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9786 -0.6665 -0.0251 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