Monomers
Allyl acrylate
Identifiers
IUPAC name
prop-2-enyl prop-2-enoate
InchI
InChI=1S/C6H8O2/c1-3-5-8-6(7)4-2/h3-4H,1-2,5H2
InchI Key
QTECDUFMBMSHKR-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C=C
Canonical SMILES
C=CCOC(=O)C=C
Isomeric SMILES
C=CCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H8O2
Heavy Atom Count
8
Molecular Weight
112.128
Exact Molecular Weight
112.0524
Valence Electrons
44
Radical Electrons
0
tPSA
26.3
MolLogP
0.9016
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
16 15 0 0 0 0 0 0 0 0999 V2000
-2.3438 1.3191 -0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0178 0.0306 -0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4149 -0.5760 0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1260 -1.1094 0.6113 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8921 -0.2816 0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6120 0.9253 0.0043 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2497 -0.8070 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2080 -0.0247 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7927 1.7954 -1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1817 1.9424 0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2027 -0.5437 -1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4543 0.0706 1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0464 -1.4774 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4426 -1.8469 0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9860 1.0276 -0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1898 -0.4443 -0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
2 11 1 0
3 12 1 0
3 13 1 0
7 14 1 0
8 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers