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
-2.0328 0.9154 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7492 -0.5331 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3092 -0.8498 -0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0141 -2.0602 -0.2791 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6986 0.0912 0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0159 -0.3392 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0239 0.5067 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1021 1.0302 0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3545 1.4057 0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8877 1.4517 -0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2623 -1.1573 0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1739 -0.8593 -1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2827 -1.3768 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7860 1.5626 0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0504 0.2121 0.0909 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