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
-2.4520 -0.3640 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3240 -0.7029 -0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1464 0.1035 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2184 0.9124 0.7900 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0455 -0.0099 -0.8415 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1193 0.7776 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9545 0.3174 0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2745 0.1285 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8529 -1.2649 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1475 0.3308 1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5550 -0.4615 -1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0438 -1.7773 -0.4945 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2962 1.7546 -0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8043 -0.6753 0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7947 0.9310 0.7510 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