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
-2.2774 0.3433 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5862 -0.5586 0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1737 -0.8057 0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2188 -1.9465 -0.2594 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8074 0.1876 0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1400 -0.0391 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9795 0.9774 -0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6714 1.2703 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5467 -0.1875 -1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2084 0.7055 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1320 -1.5419 0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7494 -0.1678 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5247 -1.0419 -0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6506 1.9679 0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0241 0.8370 -0.3844 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