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
-2.2906 0.5689 -0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5366 -0.7121 -0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1435 -0.5262 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1043 -0.2832 1.5623 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9631 -0.6017 -0.4838 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2661 -0.4219 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8370 0.7567 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4980 0.8171 -1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7666 1.4352 0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2951 0.4304 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0235 -1.3938 0.6519 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6019 -1.2642 -1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8063 -1.2918 0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8491 0.8365 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3302 1.6501 -0.3258 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