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
-2.4411 0.2873 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4842 -0.3936 -0.9387 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1843 -0.6794 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0086 -1.6435 0.4849 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8952 0.1468 -0.5577 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1374 -0.0663 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1124 0.7720 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0594 0.2818 1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4033 -0.2427 0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5416 1.3728 -0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9423 -1.3599 -1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3944 0.2295 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2864 -0.8973 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0788 0.5888 0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9490 1.6039 -0.9706 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