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
2.8737 0.7020 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0264 -0.5307 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6059 -0.2618 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1756 0.8654 0.4803 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3040 -1.2974 0.0603 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6647 -1.0774 0.3773 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3015 -0.0715 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8328 1.0476 0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0855 0.9214 0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8567 0.4663 -0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4377 1.5815 -0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4456 -1.2993 0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0538 -0.9565 -1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7952 -0.8201 1.4629 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2180 -2.0546 0.2605 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3444 -0.2328 -1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8027 1.2364 1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2975 1.7816 -0.6113 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