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
-2.6312 -0.1874 0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4663 0.6922 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2136 -0.1071 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2901 -1.3081 0.3730 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0362 0.4096 -0.2207 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1535 -0.3890 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3374 0.1253 -0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1113 -0.4904 -0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2937 -1.0559 0.7665 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3295 0.3990 0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3659 1.5562 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4982 1.1051 -1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0256 -1.4284 0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2251 -0.4670 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4220 1.1458 -0.5798 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