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
-2.5067 0.4495 -0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4272 0.0504 -1.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1285 -0.1983 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0556 -0.0883 0.9037 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9618 -0.5764 -1.0904 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1646 -0.8087 -0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0299 0.1560 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6605 1.5546 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4707 0.0146 -0.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3173 0.1036 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6712 -0.9059 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2871 0.8654 -1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3938 -1.7872 -0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.1804 -0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9978 -0.0098 0.1662 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