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
-2.6853 -0.5654 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8149 -0.3181 -0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0477 0.9519 -0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3301 0.6350 -0.6769 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8336 -0.0376 0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0725 -0.3661 1.3413 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2324 -0.3571 0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0214 -0.0052 -0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8584 0.1594 1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2370 -1.4913 0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6576 -1.0627 -1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2778 1.4830 -1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2673 1.5795 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6333 -0.8844 1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0690 -0.2426 -0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6537 0.5216 -1.3846 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