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
-2.1435 0.2320 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4986 -0.2124 1.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0279 -0.2841 0.9648 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6614 -0.6436 1.9533 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6136 0.0292 -0.2065 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0142 -0.0470 -0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6544 0.2439 -1.4074 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0644 -0.3595 -0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4685 1.3009 -0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4673 0.0557 -1.0485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7582 0.4981 1.9124 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9170 -1.1917 1.4041 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5734 -0.3583 0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1045 0.5552 -2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7237 0.1815 -1.4723 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