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
-2.9585 0.5219 0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8272 0.5653 -0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6612 1.2195 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4429 0.3548 0.2581 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0621 -0.2716 -0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5653 -0.0133 -1.9543 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1972 -1.1628 -0.6582 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6919 -1.4136 0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8123 0.0406 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0390 0.9628 1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 0.1234 -1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3160 2.0127 -0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9711 1.7026 1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6358 -1.6206 -1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5349 -2.0770 0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2415 -0.9447 1.4180 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