Monomers
Allyl propionate
Identifiers
IUPAC name
prop-2-enyl propanoate
InchI
InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
InchI Key
XRFWKHVQMACVTA-UHFFFAOYSA-N
SMILES
CCC(=O)OCC=C
Canonical SMILES
CCC(=O)OCC=C
Isomeric SMILES
CCC(=O)OCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
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
18 17 0 0 0 0 0 0 0 0999 V2000
-3.0755 0.2927 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8088 1.0663 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6210 0.2982 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3045 0.3139 1.3662 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1116 -0.4103 -0.7490 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2565 -1.1689 -0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2770 -0.2698 0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4599 -0.1247 -0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7751 -0.7859 0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8172 0.3033 -0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4780 0.7359 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8581 1.1973 -1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8254 2.0967 0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5993 -1.6286 -1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0212 -2.0265 0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0009 0.2556 1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1742 0.5332 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6630 -0.6783 -1.3483 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 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
6 14 1 0
6 15 1 0
7 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers