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
-2.5563 1.3135 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0019 0.0882 0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6787 -0.1953 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1729 0.5118 -0.9222 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1109 -1.2799 0.4136 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3943 -1.5190 -0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3087 -0.3869 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8164 0.2493 -1.0446 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7461 1.1251 -1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 2.2196 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5569 1.5232 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7218 -0.7231 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9168 0.3068 1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2676 -1.7352 -1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7617 -2.4643 0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5814 -0.0556 0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4934 1.0879 -0.9751 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5564 -0.0661 -2.0553 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