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
2.4517 -0.6062 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2463 -0.3920 -0.9895 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1552 0.1725 -0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3177 0.3969 1.0932 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1002 0.4901 -0.6541 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0893 1.0126 0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9264 0.2147 0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2400 -0.3309 0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8004 -1.6492 -0.2025 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2543 0.0794 -0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9233 -1.3840 -1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4594 0.2663 -1.8536 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1793 2.0708 0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7163 0.5358 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8367 -0.8770 0.6593 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