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
1.9927 -0.7979 0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7283 0.6736 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2554 0.9720 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1240 2.1668 -0.1317 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7004 -0.0026 0.0842 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0628 0.2396 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8646 -0.7874 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0618 -0.9002 0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3441 -1.3026 0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8796 -1.3242 -0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2682 1.2469 0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1254 1.0039 -1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4919 1.2278 0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4851 -1.7914 0.3051 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9268 -0.6244 0.2464 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