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
2.2069 1.4097 0.9134 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4052 0.5176 1.4798 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2530 -0.7831 0.8533 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0259 -1.1464 0.4527 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7454 -0.4107 -0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1525 0.6045 -0.9134 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0859 -0.7971 -0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7829 -0.1075 -1.7635 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7559 1.1974 -0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3795 2.4087 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9096 0.8312 2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6250 -1.5747 1.5675 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9216 -0.8771 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5169 -1.6864 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3699 0.7922 -2.2149 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7774 -0.3786 -2.0834 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