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
-2.6896 -0.4838 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8345 -0.7587 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6197 -1.5804 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5722 -0.9215 -0.5920 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9397 0.2438 0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1474 0.6926 0.9244 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1929 0.9075 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5662 2.0192 0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5715 -0.8280 1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5578 0.1167 0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0126 -0.3850 -1.5514 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7024 -2.0048 0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6824 -2.4589 -1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8615 0.5051 -0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5073 2.5186 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8833 2.4175 1.1102 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