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
-2.2546 0.6770 0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5382 -0.3483 -0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2093 -0.6038 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0863 -1.7205 0.5274 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7202 0.4041 0.1125 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9886 0.2336 0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0129 -0.1069 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2667 0.2784 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5866 1.5876 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2180 1.0011 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1752 -1.2735 -0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4338 -0.0497 -1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0276 0.4035 1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9817 -0.2347 0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8649 -0.2480 -1.0585 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