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
2.5755 -0.2020 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4553 0.5522 -0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1188 0.1465 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0939 -0.7409 0.9019 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0574 0.6916 -0.4048 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3119 0.3557 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0928 -0.5828 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6832 -1.2063 -0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5239 0.3566 -0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4395 -0.3166 1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6197 1.6343 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3904 0.3240 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6766 0.9158 0.9116 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0465 -0.7896 -0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7149 -1.1384 -1.2661 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