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
3.3087 -0.0439 -0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0370 -0.8515 -0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9139 0.0397 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1258 1.2269 0.1970 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3922 -0.4215 -0.1125 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4000 0.4664 0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7437 -0.1937 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7323 0.2814 -0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0612 -0.5345 -1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6467 -0.0592 0.5132 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0676 0.9884 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8881 -1.1010 -1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0718 -1.7775 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4453 1.3132 -0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1514 0.8006 1.3619 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9455 -1.0838 0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6189 1.1607 -1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6915 -0.2109 -0.4173 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