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
2.8380 0.4200 0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1155 -0.5407 -0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6909 -0.6863 0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3067 -0.9021 1.2760 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2505 -0.5771 -0.8930 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6353 -0.6928 -0.7206 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1644 0.2821 0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0660 1.1644 -0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6063 0.3106 1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9171 0.2929 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5759 1.4418 0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6028 -1.5657 -0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2838 -0.2043 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0951 -0.4460 -1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9767 -1.7285 -0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7926 0.2732 1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4714 1.9005 0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4852 1.2580 -1.1048 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