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
-2.4127 0.5645 -0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4921 -0.4841 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1325 -0.4545 -0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2518 -1.2540 -1.0123 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7983 0.4920 0.3092 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0896 0.5076 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0521 -0.1796 0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0094 1.0701 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8410 1.3447 -0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1139 0.1149 -0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9088 -1.4984 0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4345 -0.3796 1.5572 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2942 1.0664 -1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0389 -0.1650 -0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8198 -0.7450 1.2356 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