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
2.5046 0.0235 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3103 -0.8561 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1174 -0.1398 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1178 0.2030 -1.1607 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9786 0.1636 0.8109 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0390 0.8378 0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0256 0.1343 -0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1794 1.1079 0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8029 -0.2607 -0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2888 -0.0379 0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2142 -0.9813 1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4218 -1.8710 0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0218 1.9266 0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8643 0.6813 -0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0279 -0.9310 -0.2340 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