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
-2.1153 0.0268 0.7056 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0977 -0.6873 -0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8176 -1.0631 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3338 -0.5973 -0.3567 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7148 0.7284 -0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0209 1.5926 -0.7709 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9446 1.1129 0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7054 0.1969 1.0462 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2352 0.3656 1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0594 0.3179 1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0045 -1.0203 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7047 -2.1778 -1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8583 -0.6296 -2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1822 2.1636 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5881 0.5010 1.5677 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4447 -0.8303 0.9752 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