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
2.0973 1.2250 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3150 -0.0414 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1866 -1.0057 0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0252 -0.3424 0.0993 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2508 -0.9726 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2953 -2.1792 0.3910 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4401 -0.2113 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3878 1.0702 -0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0822 1.5456 -0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9320 1.9258 -0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3299 -0.3734 0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1671 -1.3987 1.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3757 -1.7843 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4097 -0.6847 -0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4198 1.5724 -0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2571 1.6548 -0.7984 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