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
-2.4885 0.3263 0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3772 -0.6646 0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1570 -0.1557 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1635 0.9420 -0.7829 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0474 -0.8547 -0.2238 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1812 -0.3075 -0.8528 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0152 0.4527 -0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1385 1.3689 0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3037 0.2075 0.9895 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8785 0.1889 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6239 -1.6390 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2187 -0.8986 1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3792 -0.5073 -1.8972 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8791 0.8716 -0.6573 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8472 0.6696 0.8518 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