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
2.9366 0.9079 -0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0626 -0.0715 -0.7856 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1284 -0.3459 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2150 -0.1958 -0.1607 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2767 -0.3985 0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0245 -0.7191 1.8849 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6391 -0.2490 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8256 0.0856 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9861 1.5177 0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6118 1.0969 -1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0047 -0.6927 -1.6723 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2603 0.4040 1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2922 -1.3713 0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4642 -0.4127 0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0026 0.2495 -1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8351 0.1948 -1.4071 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