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
2.7645 -0.2394 -0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0405 0.2691 0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6040 0.3292 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1961 -0.0187 -0.8794 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3451 0.7586 1.1756 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6979 0.7706 0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1983 -0.5495 0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6691 -0.8094 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8581 -0.1031 -0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4829 -1.2862 -0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3317 0.3298 -1.5489 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3813 1.3217 0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2763 -0.3235 1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2702 1.2412 1.5934 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8313 1.4550 -0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2077 -1.3989 1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0400 -1.7516 -1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6758 0.0050 -1.5584 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