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
-2.3516 0.8384 -0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5975 -0.1689 0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1258 -0.0992 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2858 0.7576 -1.0258 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7871 -0.9170 0.3986 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1370 -0.9072 0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9915 -0.1798 0.8999 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1581 0.3160 -1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6683 1.3383 -1.4402 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8435 1.5462 -0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7688 -0.0393 1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8900 -1.2192 -0.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5509 -1.5312 -0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5964 0.4514 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0549 -0.1860 0.7277 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