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
-2.6810 0.1224 0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4400 0.4717 -0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2208 -0.0787 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3465 -0.7348 1.2195 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0462 0.0965 -0.3281 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1977 -0.3779 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3440 -0.1157 -0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4315 -0.3171 -0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0801 1.0022 0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4910 -0.6469 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4564 -0.0181 -1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3514 1.5693 -0.5994 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 -0.9566 1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3044 -0.4717 0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3672 0.4554 -1.2748 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