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
2.0259 0.9393 -1.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2983 -0.1833 -0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2665 -0.9028 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0140 -0.2041 0.0183 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0813 -0.7209 0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9040 -1.7940 1.3256 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3800 -0.0578 0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5865 1.0637 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8091 1.4231 -1.9089 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0626 1.4183 -1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2851 -0.6277 -0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6368 -1.0037 1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1180 -1.9392 -0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2012 -0.4960 1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5531 1.5270 0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8103 1.5578 -0.5285 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