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
-2.5494 -0.2174 0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3867 0.1501 -0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0896 -0.2330 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0056 -0.8063 1.1180 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0564 0.0431 -0.6809 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3190 -0.2761 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9756 0.6106 0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0242 -1.1598 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3390 0.5684 0.3454 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2532 -0.3350 1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4646 1.2520 -0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5551 -0.3491 -1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7679 -1.2124 -0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5576 1.5651 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9797 0.3998 0.8493 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