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
-1.9929 0.9490 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7038 -0.5008 0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2643 -0.7043 -0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1853 -1.8480 -0.5256 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6307 0.3447 -0.3511 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9553 0.1410 -0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8681 -0.1002 0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3961 1.5878 -0.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0866 1.1271 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8042 1.2212 1.4486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8555 -1.0860 1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2960 -0.9066 -0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2850 0.1717 -1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5555 -0.1338 1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9194 -0.2628 -0.0594 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