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
2.4981 -0.0032 0.6848 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5410 0.8407 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2587 0.1130 -0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2825 -1.0608 -0.8227 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9571 0.7069 -0.1560 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1201 0.0183 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2562 0.6643 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9278 -0.8108 1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2421 -0.4568 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9241 0.6441 1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9766 0.9950 -1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3593 1.7970 0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2136 -0.9726 -0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2485 1.6651 0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2148 0.1848 -0.2216 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