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
-1.9741 0.7043 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2153 -0.0297 0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1533 -0.5269 1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1500 -0.1870 0.7697 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8022 -0.5854 -0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2122 -1.3383 -1.2001 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1858 -0.1650 -0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8145 0.6106 0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8036 1.0571 -1.4792 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0094 1.0313 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2378 -0.2848 0.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2501 -1.6272 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3544 -0.0448 2.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6919 -0.4824 -1.5556 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3246 0.9376 1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8170 0.9307 -0.0034 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