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
-2.4511 0.1421 -0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4566 -0.3684 0.7744 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1479 -0.4337 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1218 -1.3787 -0.6437 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7757 0.5569 0.3166 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0270 0.6144 -0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0959 0.0923 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7363 -0.7178 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9223 0.9095 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2833 0.6746 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8071 -1.3487 1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4151 0.3814 1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1200 1.1251 -1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0358 -0.4211 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0433 0.1719 -0.1899 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