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
-2.5638 0.1101 -0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3999 -0.0539 0.9023 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1230 -0.1897 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0889 -0.1632 -1.1059 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0575 -0.3483 0.8242 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2885 -0.4815 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0611 0.5422 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3008 -0.3830 -1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8140 1.1640 -0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4791 -0.4024 0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3807 0.7898 1.6266 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6016 -0.9845 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5845 -1.4948 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7564 1.5557 0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0036 0.3395 -0.5918 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