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
3.0732 0.1250 0.4821 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9930 -0.7206 -0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6801 -0.3060 0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2637 -0.7273 1.4285 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1272 0.5619 -0.3700 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3733 0.9441 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2989 -0.1569 0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4600 -0.1793 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7725 -0.5413 1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6115 0.8618 1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6392 0.7228 -0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2101 -1.8088 0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0556 -0.6104 -1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2627 1.5060 1.1249 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8182 1.6688 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0764 -0.9928 1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7236 0.6206 -0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1586 -0.9675 -0.0917 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