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
-2.2868 0.3226 -0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4944 -0.8533 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0672 -0.5889 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5451 -1.3557 -0.9482 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6041 0.4785 0.3726 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9313 0.7855 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8681 0.3544 0.9533 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2683 0.4556 0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6480 1.2500 -0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3813 0.1802 -1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7024 -1.0049 1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8432 -1.7645 -0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1976 1.3821 -0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6411 -0.2597 1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9042 0.6182 0.7438 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