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
-3.3693 0.4954 -0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3823 -0.2500 -0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1539 -0.4454 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0036 0.0235 -0.6711 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2232 -0.1274 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2365 -0.6602 1.1590 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4752 0.3182 -0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6033 0.1664 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3022 0.6594 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2685 0.9637 0.6838 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5265 -0.6972 -1.7434 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9579 -1.5177 0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1739 0.0919 0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4489 0.7708 -1.5769 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6155 -0.2832 1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5284 0.4918 -0.3752 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