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
-2.4929 0.3039 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4338 0.3745 -0.6949 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1483 -0.1639 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0907 -0.5715 1.0546 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0092 -0.2241 -0.8776 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1583 -0.7287 -0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0073 0.0643 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9170 -0.7414 0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2626 1.0654 0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9906 0.4207 1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2649 1.4511 -0.9802 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6658 -0.2547 -1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3402 -1.7875 -0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9029 -0.3304 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8488 1.1221 0.4341 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