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
-2.3932 -0.2985 0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5519 0.1165 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1430 0.2170 0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1472 -0.0342 1.2227 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8861 0.5786 -0.8209 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2065 0.6726 -0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9738 -0.3949 -0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1964 -1.3472 1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4825 -0.2138 0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1197 0.3766 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9203 1.0495 -0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5763 -0.7039 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5812 1.6168 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0258 -0.3249 -0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5626 -1.3102 -0.8893 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