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
2.1420 0.4188 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5951 -0.2412 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1692 -0.5028 -0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1174 -1.5170 0.3929 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8423 0.3025 -0.6944 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1391 -0.0607 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7556 0.3285 0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1539 -0.3707 1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4397 1.2471 1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1216 0.8781 0.5823 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7661 0.4019 -1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1218 -1.2280 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6641 -0.6969 -1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 0.0654 0.9754 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2409 0.9751 1.4451 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