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
-2.3226 -0.0790 -0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3547 1.0491 -0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0628 0.5904 -0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9461 1.4495 -0.5990 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4305 -0.6915 -0.0983 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6868 -1.2098 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8197 -0.5718 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3733 -0.2739 0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3312 0.2962 -0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0962 -0.9689 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4931 1.5078 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4701 1.8356 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7683 -2.2781 0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7746 -1.1246 -0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9524 0.4689 -0.3975 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