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
-2.2961 1.3459 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3504 0.0224 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1811 -0.8577 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0150 -0.1795 -0.0567 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1769 -0.9555 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0716 -2.2197 0.0158 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4689 -0.3773 0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6355 0.9272 0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1856 1.9475 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3735 1.8900 -0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3096 -0.4506 -0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0771 -1.4369 -1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3312 -1.5898 0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3273 -1.0135 0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6027 1.3228 0.5971 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8067 1.6246 0.3208 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