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
-3.0646 0.6354 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9384 0.5284 -0.9075 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9923 -0.6222 -0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2339 -0.0528 -0.2882 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2887 -0.9087 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0979 -2.1291 -0.1787 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5830 -0.3769 0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7780 0.9154 0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7213 1.4579 -0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2834 -0.1602 0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7024 1.2992 -1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9126 -1.1220 -1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4416 -1.2777 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3716 -1.0636 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9644 1.5874 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7391 1.2895 0.8802 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