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
2.5060 0.7765 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2339 -0.7119 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7649 -0.8974 -0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3227 -1.4781 -1.1419 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1871 -0.4256 0.7813 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5702 -0.5457 0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0412 0.0729 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9080 1.0623 -0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0256 1.3054 0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1129 1.2110 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6067 0.9412 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4582 -1.0506 1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8050 -1.2254 -0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9337 -1.5958 0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0438 -0.0388 1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6497 -0.3115 -1.5647 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2723 1.4209 0.3347 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2299 1.4908 -1.5392 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