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
-2.8880 -0.2750 0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4992 0.5349 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0811 0.7444 -0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2280 -0.0305 0.1756 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1416 0.0392 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5700 0.7982 -0.9245 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0593 -0.7420 0.8043 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3580 -0.6534 0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1359 -0.8123 1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9218 -0.3952 0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2374 1.1002 -0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7829 1.8274 -0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8913 0.4714 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6920 -1.3920 1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7653 -0.0085 -0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0793 -1.2068 1.1717 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