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
3.1417 0.0013 -0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0590 -0.9468 -0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9409 -0.2341 0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1350 0.2325 1.7072 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2971 -0.0622 -0.0183 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3957 0.6079 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5396 0.6061 -0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7158 0.0615 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0919 -0.5779 -0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8593 0.3707 -1.5421 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2263 0.8242 0.2154 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7289 -1.5249 -0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4340 -1.7053 0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7315 0.0058 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1327 1.6026 0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4043 1.0858 -1.3117 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5318 0.0730 -0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8687 -0.4202 0.8585 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