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
-2.4121 0.5490 0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4843 -0.6724 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1765 -0.1165 -0.4181 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0338 0.2918 -1.5812 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8657 -0.0793 0.4953 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1185 0.4074 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0264 -0.4164 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5163 1.0438 -0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3664 0.2755 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9135 1.2693 0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8641 -1.4382 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4110 -1.0606 1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2855 1.4583 0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0048 -0.0362 -0.5367 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8770 -1.4756 -0.4164 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