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
2.4231 0.2678 0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4450 -0.3306 -0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0752 0.1345 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5334 0.8594 -1.3770 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7110 -0.1815 0.5998 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0193 0.2706 0.7285 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0430 -0.4522 0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1374 1.2821 0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4389 0.2398 -0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5021 -0.3815 1.2176 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7777 0.0296 -1.7174 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6167 -1.4069 -0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2176 1.2304 1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0686 -0.1558 0.3741 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8232 -1.4058 -0.1495 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