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
-3.1927 -0.0101 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8710 0.7228 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7922 -0.2629 0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0605 -1.4879 0.2864 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5481 0.0918 0.1260 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5271 -0.8707 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8858 -0.3182 0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1202 0.9854 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1007 -1.0011 -0.6645 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4517 -0.2118 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0142 0.6072 -0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7084 1.2364 -1.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8680 1.5360 0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3411 -1.3277 1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4670 -1.7452 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7132 -0.9793 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1304 1.3627 0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3267 1.6728 -0.0200 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